ID 1D5MA STANDARD; PRT; 181 AA. DT CONVERTED FROM PDB (SEQRES) 1D5M DE HLA CLASS II HISTOCOMPATIBILITY ANTIGEN OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.236 FT #SUB 4 4 GLU A 17 17 PHE B Protein A 7 FT #SUB 4 4 GLU A 18 18 PHE B Protein S 10 FT #SUB 5 5 HIS A 15 15 CYS B Protein B 1 FT #SUB 5 5 HIS A 16 16 HIS B Protein B 2 FT #SUB 5 5 HIS A 17 17 PHE B Protein B 7 FT #SUB 5 5 HIS A 91 91 VAL B Protein S 1 FT #SUB 6 6 VAL A 15 15 CYS B Protein A 3 FT #SUB 6 6 VAL A 16 16 HIS B Protein S 2 FT #SUB 7 7 ILE A 13 13 HIS B Protein B 1 FT #SUB 7 7 ILE A 14 14 GLU B Protein B 2 FT #SUB 7 7 ILE A 15 15 CYS B Protein B 5 FT #SUB 7 7 ILE A 17 17 PHE B Protein S 2 FT #SUB 8 8 ILE A 13 13 HIS B Protein A 3 FT #SUB 8 8 ILE A 14 14 GLU B Protein S 1 FT #SUB 9 9 GLN A 11 11 VAL B Protein B 1 FT #SUB 9 9 GLN A 12 12 LYS B Protein B 2 FT #SUB 9 9 GLN A 13 13 HIS B Protein A 15 FT #SUB 9 9 GLN A 78 78 TYR B Protein S 6 FT #SUB 10 10 ALA A 11 11 VAL B Protein B 2 FT #SUB 11 11 GLU A 10 10 GLN B Protein B 3 FT #SUB 11 11 GLU A 11 11 VAL B Protein A 7 FT #SUB 11 11 GLU A 13 13 HIS B Protein S 4 FT #SUB 12 12 PHE A 8 8 LEU B Protein S 3 FT #SUB 12 12 PHE A 9 9 GLU B Protein A 3 FT #SUB 12 12 PHE A 10 10 GLN B Protein S 1 FT #SUB 13 13 TYR A 7 7 PHE B Protein B 1 FT #SUB 13 13 TYR A 8 8 LEU B Protein B 3 FT #SUB 13 13 TYR A 9 9 GLU B Protein B 4 FT #SUB 14 14 LEU A 6 6 ARG B Protein S 2 FT #SUB 14 14 LEU A 7 7 PHE B Protein A 4 FT #SUB 15 15 ASN A 6 6 ARG B Protein B 4 FT #SUB 15 15 ASN A 7 7 PHE B Protein A 5 FT #SUB 16 16 PRO A 4 4 ARG B Protein S 2 FT #SUB 16 16 PRO A 5 5 PRO B Protein S 1 FT #SUB 16 16 PRO A 6 6 ARG B Protein S 2 FT #SUB 17 17 ASP A 6 6 ARG B Protein S 11 FT #SUB 24 24 PHE A 82 82 ASN B Protein S 1 FT #SUB 26 26 PHE A 90 90 THR B Protein S 11 FT #SUB 26 26 PHE A 91 91 VAL B Protein S 5 FT #SUB 26 26 PHE A 123 123 TYR B Protein S 2 FT #SUB 26 26 PHE A 153 153 TRP B Protein S 3 FT #SUB 27 27 ASP A 149 149 GLN B Protein B 1 FT #SUB 28 28 GLY A 149 149 GLN B Protein B 1 FT #SUB 29 29 ASP A 123 123 TYR B Protein S 1 FT #SUB 29 29 ASP A 149 149 GLN B Protein S 8 FT #SUB 29 29 ASP A 153 153 TRP B Protein A 7 FT #SUB 30 30 GLU A 153 153 TRP B Protein B 7 FT #SUB 31 31 ILE A 153 153 TRP B Protein A 2 FT #SUB 44 44 ARG A 151 151 GLY B Protein S 4 FT #SUB 44 44 ARG A 152 152 ASP B Protein S 4 FT #SUB 44 44 ARG A 153 153 TRP B Protein S 3 FT #SUB 45 45 LEU A 93 93 ARG B Protein S 3 FT #SUB 45 45 LEU A 152 152 ASP B Protein S 1 FT #SUB 45 45 LEU A 153 153 TRP B Protein S 1 FT #SUB 47 47 GLU A 89 89 PHE B Protein S 2 FT #SUB 48 48 PHE A 89 89 PHE B Protein S 7 FT #SUB 48 48 PHE A 153 153 TRP B Protein S 7 FT #SUB 51 51 PHE A 89 89 PHE B Protein S 1 FT #SUB 52 52 ALA A 85 85 VAL B Protein S 1 FT #SUB 52 52 ALA A 89 89 PHE B Protein S 2 FT #SUB 66 66 ASP A 9 9 GLU B Protein B 2 FT #SUB 66 66 ASP A 11 11 VAL B Protein S 2 FT #SUB 69 69 ASN A 9 9 GLU B Protein S 2 FT #SUB 70 70 LEU A 7 7 PHE B Protein S 4 FT #SUB 70 70 LEU A 8 8 LEU B Protein S 1 FT #SUB 70 70 LEU A 9 9 GLU B Protein A 2 FT #SUB 70 70 LEU A 32 32 TYR B Protein S 1 FT #SUB 73 73 MET A 9 9 GLU B Protein S 1 FT #SUB 73 73 MET A 32 32 TYR B Protein A 2 FT #SUB 73 73 MET A 37 37 TYR B Protein S 11 FT #SUB 73 73 MET A 53 53 LEU B Protein S 2 FT #SUB 74 74 THR A 7 7 PHE B Protein S 5 FT #SUB 74 74 THR A 32 32 TYR B Protein A 6 FT #SUB 76 76 ARG A 53 53 LEU B Protein A 7 FT #SUB 76 76 ARG A 56 56 PRO B Protein S 5 FT #SUB 76 76 ARG A 57 57 ASP B Protein S 6 FT #SUB 77 77 SER A 32 32 TYR B Protein S 5 FT #SUB 79 79 TYR A 7 7 PHE B Protein B 2 FT #SUB 80 80 THR A 7 7 PHE B Protein B 3 FT #SUB 80 80 THR A 32 32 TYR B Protein B 5 FT #SUB 80 80 THR A 33 33 HIS B Protein B 3 FT #SUB 81 81 PRO A 5 5 PRO B Protein S 2 FT #SUB 81 81 PRO A 6 6 ARG B Protein A 3 FT #SUB 81 81 PRO A 7 7 PHE B Protein A 4 FT #SUB 81 81 PRO A 33 33 HIS B Protein B 4 FT #SUB 82 82 ILE A 6 6 ARG B Protein A 5 FT #SUB 82 82 ILE A 8 8 LEU B Protein S 1 FT #SUB 82 82 ILE A 33 33 HIS B Protein A 14 FT #SUB 93 93 THR A 156 156 GLN B Protein B 3 FT #SUB 94 94 ASN A 120 120 ASN B Protein B 4 FT #SUB 94 94 ASN A 156 156 GLN B Protein B 1 FT #SUB 95 95 SER A 120 120 ASN B Protein B 2 FT #SUB 96 96 PRO A 100 100 THR B Protein S 2 FT #SUB 96 96 PRO A 102 102 TYR B Protein S 1 FT #SUB 96 96 PRO A 118 118 SER B Protein S 1 FT #SUB 96 96 PRO A 120 120 ASN B Protein S 1 FT #SUB 106 106 ILE A 150 150 ASN B Protein S 3 FT #SUB 108 108 PHE A 149 149 GLN B Protein S 1 FT #SUB 113 113 THR A 34 34 GLN B Protein S 1 FT #SUB 115 115 PRO A 8 8 LEU B Protein S 1 FT #SUB 139 139 PRO A 12 12 LYS B Protein S 2 FT #SUB 140 140 ARG A 12 12 LYS B Protein B 2 FT #SUB 142 142 ASP A 34 34 GLN B Protein B 1 FT #SUB 143 143 HIS A 10 10 GLN B Protein A 2 FT #SUB 143 143 HIS A 12 12 LYS B Protein A 8 FT #SUB 143 143 HIS A 29 29 ARG B Protein S 4 FT #SUB 143 143 HIS A 31 31 PHE B Protein S 14 FT #SUB 143 143 HIS A 34 34 GLN B Protein S 2 FT #SUB 144 144 LEU A 34 34 GLN B Protein S 4 FT #SUB 145 145 PHE A 8 8 LEU B Protein S 1 FT #SUB 145 145 PHE A 10 10 GLN B Protein S 4 FT #SUB 146 146 ARG A 149 149 GLN B Protein S 4 FT #SUB 148 148 PHE A 149 149 GLN B Protein S 2 FT #SUB 148 148 PHE A 150 150 ASN B Protein S 5 FT #SUB 148 148 PHE A 151 151 GLY B Protein S 7 FT #SUB 150 150 TYR A 150 150 ASN B Protein S 4 FT #SUB 150 150 TYR A 151 151 GLY B Protein S 4 FT #SUB 150 150 TYR A 152 152 ASP B Protein S 1 FT #SUB 168 168 TRP A 2 2 ASP B Protein S 3 FT #SUB 168 168 TRP A 6 6 ARG B Protein S 8 FT #SUB 13 13 TYR A 44 44 PHE C Protein S 3 FT #SUB 13 13 TYR A 45 45 LEU C Protein S 1 FT #SUB 17 17 ASP A 46 46 TYR C Protein B 1 FT #SUB 18 18 GLN A 43 43 GLN C Protein S 7 FT #SUB 18 18 GLN A 44 44 PHE C Protein S 1 FT #SUB 18 18 GLN A 45 45 LEU C Protein B 4 FT #SUB 18 18 GLN A 46 46 TYR C Protein A 7 FT #SUB 36 36 MET A 45 45 LEU C Protein S 1 FT #SUB 36 36 MET A 47 47 PHE C Protein B 2 FT #SUB 37 37 ALA A 47 47 PHE C Protein A 4 FT #SUB 37 37 ALA A 215 215 MET C Protein B 1 FT #SUB 38 38 LYS A 215 215 MET C Protein B 1 FT #SUB 39 39 LYS A 67 67 GLU C Protein S 6 FT #SUB 39 39 LYS A 89 89 TYR C Protein S 1 FT #SUB 39 39 LYS A 115 115 TYR C Protein S 4 FT #SUB 39 39 LYS A 211 211 SER C Protein S 2 FT #SUB 55 55 GLU A 92 92 GLN C Protein S 2 FT #SUB 55 55 GLU A 207 207 LYS C Protein S 1 FT #SUB 57 57 GLN A 92 92 GLN C Protein A 10 FT #SUB 57 57 GLN A 94 94 TYR C Protein B 2 FT #SUB 57 57 GLN A 209 209 ASP C Protein S 4 FT #SUB 57 57 GLN A 211 211 SER C Protein S 2 FT #SUB 57 57 GLN A 212 212 LYS C Protein S 2 FT #SUB 60 60 LEU A 44 44 PHE C Protein B 1 FT #SUB 60 60 LEU A 94 94 TYR C Protein A 3 FT #SUB 61 61 ALA A 94 94 TYR C Protein A 7 FT #SUB 63 63 ILE A 44 44 PHE C Protein B 3 FT #SUB 64 64 ALA A 44 44 PHE C Protein A 5 FT #SUB 64 64 ALA A 95 95 PHE C Protein S 3 FT #SUB 64 64 ALA A 96 96 SER C Protein B 3 FT #SUB 67 67 LYS A 43 43 GLN C Protein S 2 FT #SUB 67 67 LYS A 44 44 PHE C Protein S 2 FT #SUB 67 67 LYS A 96 96 SER C Protein S 5 FT #SUB 68 68 ALA A 96 96 SER C Protein B 1 FT #SUB 71 71 GLU A 98 98 LYS C Protein S 5 FT #SUB 9 9 GLN A 4 806 ALA D Protein S 3 FT #SUB 9 9 GLN A 5 807 MET D Protein S 9 FT #SUB 11 11 GLU A 7 809 SER D Protein S 4 FT #SUB 24 24 PHE A 3 805 ARG D Protein S 1 FT #SUB 31 31 ILE A 2 804 ALC D Protein S 2 FT #SUB 32 32 PHE A 2 804 ALC D Protein S 1 FT #SUB 43 43 TRP A 2 804 ALC D Protein S 1 FT #SUB 53 53 SER A 1 803 ACE D Protein A 3 FT #SUB 53 53 SER A 2 804 ALC D Protein B 4 FT #SUB 54 54 PHE A 2 804 ALC D Protein S 1 FT #SUB 54 54 PHE A 4 806 ALA D Protein S 2 FT #SUB 62 62 ASN A 5 807 MET D Protein S 2 FT #SUB 62 62 ASN A 6 808 CY1 D Protein S 2 FT #SUB 62 62 ASN A 7 809 SER D Protein S 3 FT #SUB 65 65 VAL A 7 809 SER D Protein S 1 FT #SUB 65 65 VAL A 8 810 LEU D Protein S 2 FT #SUB 65 65 VAL A 9 811 NH2 D Protein S 1 FT #SUB 66 66 ASP A 7 809 SER D Protein S 2 FT #SUB 69 69 ASN A 8 810 LEU D Protein S 3 FT #HET 116 116 VAL A 1 1201 NAG A S 1 FT #HET 166 166 GLU A 1 1201 NAG A A 4 FT #HET 168 168 TRP A 1 1201 NAG A S 12 FT #MOD 118 118 ASN A 1 1201 NAG A S FT DISORDER 1 3 CC SEQUENCE 178 AA (ATOM); CC EHVIIQAEFY LNPDQSGEFM FDFDGDEIFH VDMAKKETVW RLEEFGRFAS FEAQGALANI CC AVDKANLEIM TKRSNYTPIT NVPPEVTVLT NSPVELREPN VLICFIDKFT PPVVNVTWLR CC NGKPVTTGVS ETVFLPREDH LFRKFHYLPF LPSTEDVYDC RVEHWGLDEP LLKHWEFD CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES IKEEHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGR CC ATOM ---EHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGR CC *********************************************** CC SEQRES FASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELR CC ATOM FASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELR CC ************************************************** CC SEQRES EPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHY CC ATOM EPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHY CC ************************************************** CC SEQRES LPFLPSTEDVYDCRVEHWGLDEPLLKHWEFD CC ATOM LPFLPSTEDVYDCRVEHWGLDEPLLKHWEFD CC ******************************* SQ SEQUENCE 181 AA; MW; CN; IKEEHVIIQA EFYLNPDQSG EFMFDFDGDE IFHVDMAKKE TVWRLEEFGR FASFEAQGAL ANIAVDKANL EIMTKRSNYT PITNVPPEVT VLTNSPVELR EPNVLICFID KFTPPVVNVT WLRNGKPVTT GVSETVFLPR EDHLFRKFHY LPFLPSTEDV YDCRVEHWGL DEPLLKHWEF D // ID 1D5MB STANDARD; PRT; 192 AA. DT CONVERTED FROM PDB (SEQRES) 1D5M DE HLA CLASS II HISTOCOMPATIBILITY ANTIGEN OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.236 FT #SUB 2 2 ASP B 168 168 TRP A Protein B 3 FT #SUB 4 4 ARG B 16 16 PRO A Protein S 2 FT #SUB 5 5 PRO B 16 16 PRO A Protein B 1 FT #SUB 5 5 PRO B 81 81 PRO A Protein S 2 FT #SUB 6 6 ARG B 14 14 LEU A Protein S 2 FT #SUB 6 6 ARG B 15 15 ASN A Protein A 4 FT #SUB 6 6 ARG B 16 16 PRO A Protein S 2 FT #SUB 6 6 ARG B 17 17 ASP A Protein S 11 FT #SUB 6 6 ARG B 81 81 PRO A Protein B 3 FT #SUB 6 6 ARG B 82 82 ILE A Protein A 5 FT #SUB 6 6 ARG B 168 168 TRP A Protein S 8 FT #SUB 7 7 PHE B 13 13 TYR A Protein B 1 FT #SUB 7 7 PHE B 14 14 LEU A Protein B 4 FT #SUB 7 7 PHE B 15 15 ASN A Protein B 5 FT #SUB 7 7 PHE B 70 70 LEU A Protein A 4 FT #SUB 7 7 PHE B 74 74 THR A Protein S 5 FT #SUB 7 7 PHE B 79 79 TYR A Protein S 2 FT #SUB 7 7 PHE B 80 80 THR A Protein S 3 FT #SUB 7 7 PHE B 81 81 PRO A Protein S 4 FT #SUB 8 8 LEU B 12 12 PHE A Protein S 3 FT #SUB 8 8 LEU B 13 13 TYR A Protein A 3 FT #SUB 8 8 LEU B 70 70 LEU A Protein B 1 FT #SUB 8 8 LEU B 82 82 ILE A Protein S 1 FT #SUB 8 8 LEU B 115 115 PRO A Protein S 1 FT #SUB 8 8 LEU B 145 145 PHE A Protein S 1 FT #SUB 9 9 GLU B 12 12 PHE A Protein B 3 FT #SUB 9 9 GLU B 13 13 TYR A Protein B 4 FT #SUB 9 9 GLU B 66 66 ASP A Protein S 2 FT #SUB 9 9 GLU B 69 69 ASN A Protein S 2 FT #SUB 9 9 GLU B 70 70 LEU A Protein S 2 FT #SUB 9 9 GLU B 73 73 MET A Protein S 1 FT #SUB 10 10 GLN B 11 11 GLU A Protein A 3 FT #SUB 10 10 GLN B 12 12 PHE A Protein S 1 FT #SUB 10 10 GLN B 143 143 HIS A Protein S 2 FT #SUB 10 10 GLN B 145 145 PHE A Protein S 4 FT #SUB 11 11 VAL B 9 9 GLN A Protein B 1 FT #SUB 11 11 VAL B 10 10 ALA A Protein B 2 FT #SUB 11 11 VAL B 11 11 GLU A Protein A 7 FT #SUB 11 11 VAL B 66 66 ASP A Protein S 2 FT #SUB 12 12 LYS B 9 9 GLN A Protein B 2 FT #SUB 12 12 LYS B 139 139 PRO A Protein S 2 FT #SUB 12 12 LYS B 140 140 ARG A Protein S 2 FT #SUB 12 12 LYS B 143 143 HIS A Protein S 8 FT #SUB 13 13 HIS B 7 7 ILE A Protein B 1 FT #SUB 13 13 HIS B 8 8 ILE A Protein B 3 FT #SUB 13 13 HIS B 9 9 GLN A Protein A 15 FT #SUB 13 13 HIS B 11 11 GLU A Protein S 4 FT #SUB 14 14 GLU B 7 7 ILE A Protein B 2 FT #SUB 14 14 GLU B 8 8 ILE A Protein S 1 FT #SUB 15 15 CYS B 5 5 HIS A Protein B 1 FT #SUB 15 15 CYS B 6 6 VAL A Protein B 3 FT #SUB 15 15 CYS B 7 7 ILE A Protein A 5 FT #SUB 16 16 HIS B 5 5 HIS A Protein B 2 FT #SUB 16 16 HIS B 6 6 VAL A Protein S 2 FT #SUB 17 17 PHE B 4 4 GLU A Protein B 7 FT #SUB 17 17 PHE B 5 5 HIS A Protein A 7 FT #SUB 17 17 PHE B 7 7 ILE A Protein S 2 FT #SUB 18 18 PHE B 4 4 GLU A Protein A 10 FT #SUB 29 29 ARG B 143 143 HIS A Protein S 4 FT #SUB 31 31 PHE B 143 143 HIS A Protein S 14 FT #SUB 32 32 TYR B 70 70 LEU A Protein S 1 FT #SUB 32 32 TYR B 73 73 MET A Protein S 2 FT #SUB 32 32 TYR B 74 74 THR A Protein S 6 FT #SUB 32 32 TYR B 77 77 SER A Protein S 5 FT #SUB 32 32 TYR B 80 80 THR A Protein S 5 FT #SUB 33 33 HIS B 80 80 THR A Protein S 3 FT #SUB 33 33 HIS B 81 81 PRO A Protein S 4 FT #SUB 33 33 HIS B 82 82 ILE A Protein S 14 FT #SUB 34 34 GLN B 113 113 THR A Protein S 1 FT #SUB 34 34 GLN B 142 142 ASP A Protein S 1 FT #SUB 34 34 GLN B 143 143 HIS A Protein B 2 FT #SUB 34 34 GLN B 144 144 LEU A Protein S 4 FT #SUB 37 37 TYR B 73 73 MET A Protein S 11 FT #SUB 53 53 LEU B 73 73 MET A Protein A 2 FT #SUB 53 53 LEU B 76 76 ARG A Protein A 7 FT #SUB 56 56 PRO B 76 76 ARG A Protein S 5 FT #SUB 57 57 ASP B 76 76 ARG A Protein S 6 FT #SUB 78 78 TYR B 9 9 GLN A Protein S 6 FT #SUB 82 82 ASN B 24 24 PHE A Protein S 1 FT #SUB 85 85 VAL B 52 52 ALA A Protein S 1 FT #SUB 89 89 PHE B 47 47 GLU A Protein S 2 FT #SUB 89 89 PHE B 48 48 PHE A Protein A 7 FT #SUB 89 89 PHE B 51 51 PHE A Protein S 1 FT #SUB 89 89 PHE B 52 52 ALA A Protein S 2 FT #SUB 90 90 THR B 26 26 PHE A Protein A 11 FT #SUB 91 91 VAL B 5 5 HIS A Protein S 1 FT #SUB 91 91 VAL B 26 26 PHE A Protein A 5 FT #SUB 93 93 ARG B 45 45 LEU A Protein S 3 FT #SUB 100 100 THR B 96 96 PRO A Protein S 2 FT #SUB 102 102 TYR B 96 96 PRO A Protein S 1 FT #SUB 118 118 SER B 96 96 PRO A Protein S 1 FT #SUB 120 120 ASN B 94 94 ASN A Protein S 4 FT #SUB 120 120 ASN B 95 95 SER A Protein S 2 FT #SUB 120 120 ASN B 96 96 PRO A Protein S 1 FT #SUB 123 123 TYR B 26 26 PHE A Protein S 2 FT #SUB 123 123 TYR B 29 29 ASP A Protein S 1 FT #SUB 149 149 GLN B 27 27 ASP A Protein S 1 FT #SUB 149 149 GLN B 28 28 GLY A Protein S 1 FT #SUB 149 149 GLN B 29 29 ASP A Protein S 8 FT #SUB 149 149 GLN B 108 108 PHE A Protein B 1 FT #SUB 149 149 GLN B 146 146 ARG A Protein S 4 FT #SUB 149 149 GLN B 148 148 PHE A Protein B 2 FT #SUB 150 150 ASN B 106 106 ILE A Protein S 3 FT #SUB 150 150 ASN B 148 148 PHE A Protein B 5 FT #SUB 150 150 ASN B 150 150 TYR A Protein B 4 FT #SUB 151 151 GLY B 44 44 ARG A Protein B 4 FT #SUB 151 151 GLY B 148 148 PHE A Protein B 7 FT #SUB 151 151 GLY B 150 150 TYR A Protein B 4 FT #SUB 152 152 ASP B 44 44 ARG A Protein A 4 FT #SUB 152 152 ASP B 45 45 LEU A Protein B 1 FT #SUB 152 152 ASP B 150 150 TYR A Protein B 1 FT #SUB 153 153 TRP B 26 26 PHE A Protein S 3 FT #SUB 153 153 TRP B 29 29 ASP A Protein A 7 FT #SUB 153 153 TRP B 30 30 GLU A Protein S 7 FT #SUB 153 153 TRP B 31 31 ILE A Protein S 2 FT #SUB 153 153 TRP B 44 44 ARG A Protein S 3 FT #SUB 153 153 TRP B 45 45 LEU A Protein S 1 FT #SUB 153 153 TRP B 48 48 PHE A Protein S 7 FT #SUB 156 156 GLN B 93 93 THR A Protein S 3 FT #SUB 156 156 GLN B 94 94 ASN A Protein S 1 FT #SUB 11 11 VAL B 7 809 SER D Protein S 1 FT #SUB 13 13 HIS B 5 807 MET D Protein S 6 FT #SUB 13 13 HIS B 6 808 CY1 D Protein S 1 FT #SUB 13 13 HIS B 7 809 SER D Protein S 2 FT #SUB 26 26 PHE B 5 807 MET D Protein S 1 FT #SUB 28 28 ASP B 5 807 MET D Protein S 1 FT #SUB 30 30 TYR B 7 809 SER D Protein S 2 FT #SUB 30 30 TYR B 8 810 LEU D Protein S 6 FT #SUB 47 47 TYR B 8 810 LEU D Protein S 3 FT #SUB 61 61 TRP B 8 810 LEU D Protein S 7 FT #SUB 67 67 LEU B 6 808 CY1 D Protein S 1 FT #SUB 67 67 LEU B 8 810 LEU D Protein S 2 FT #SUB 70 70 GLN B 6 808 CY1 D Protein S 2 FT #SUB 71 71 LYS B 5 807 MET D Protein S 1 FT #SUB 74 74 ALA B 5 807 MET D Protein S 1 FT #SUB 77 77 THR B 3 805 ARG D Protein B 5 FT #SUB 78 78 TYR B 3 805 ARG D Protein S 2 FT #SUB 78 78 TYR B 4 806 ALA D Protein S 1 FT #SUB 78 78 TYR B 5 807 MET D Protein S 10 FT #SUB 81 81 HIS B 1 803 ACE D Protein S 4 FT #SUB 81 81 HIS B 3 805 ARG D Protein S 20 FT #SUB 82 82 ASN B 2 804 ALC D Protein A 6 FT #SUB 82 82 ASN B 3 805 ARG D Protein S 10 FT #SUB 85 85 VAL B 1 803 ACE D Protein S 3 FT #SUB 85 85 VAL B 2 804 ALC D Protein A 7 FT #SUB 86 86 GLY B 2 804 ALC D Protein B 2 FT #HET 2 2 ASP B 1 1201 NAG A B 1 FT DISORDER 1 1 FT DISORDER 105 112 FT DISORDER 191 192 CC SEQUENCE 181 AA (ATOM); CC DTRPRFLEQV KHECHFFNGT ERVRFLDRYF YHQEEYVRFD SDVGEYRAVT ELGRPDAEYW CC NSQKDLLEQK RAAVDTYCRH NYGVGESFTV QRRVYPEVTV YPANLLVCSV NGFYPGSIEV CC RWFRNGQEEK TGVVSTGLIQ NGDWTFQTLV MLETVPRSGE VYTCQVEHPS VTSPLTVEWR CC A CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GDTRPRFLEQVKHECHFFNGTERVRFLDRYFYHQEEYVRFDSDVGEYRAV CC ATOM -DTRPRFLEQVKHECHFFNGTERVRFLDRYFYHQEEYVRFDSDVGEYRAV CC ************************************************* CC SEQRES TELGRPDAEYWNSQKDLLEQKRAAVDTYCRHNYGVGESFTVQRRVYPEVT CC ATOM TELGRPDAEYWNSQKDLLEQKRAAVDTYCRHNYGVGESFTVQRRVYPEVT CC ************************************************** CC SEQRES VYPAKTQPLQHHNLLVCSVNGFYPGSIEVRWFRNGQEEKTGVVSTGLIQN CC ATOM VYPA--------NLLVCSVNGFYPGSIEVRWFRNGQEEKTGVVSTGLIQN CC **** ************************************** CC SEQRES GDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRARS CC ATOM GDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRA-- CC **************************************** SQ SEQUENCE 192 AA; MW; CN; GDTRPRFLEQ VKHECHFFNG TERVRFLDRY FYHQEEYVRF DSDVGEYRAV TELGRPDAEY WNSQKDLLEQ KRAAVDTYCR HNYGVGESFT VQRRVYPEVT VYPAKTQPLQ HHNLLVCSVN GFYPGSIEVR WFRNGQEEKT GVVSTGLIQN GDWTFQTLVM LETVPRSGEV YTCQVEHPSV TSPLTVEWRA RS // ID 1D5MC STANDARD; PRT; 239 AA. DT CONVERTED FROM PDB (SEQRES) 1D5M DE ENTEROTOXIN TYPE B OS Staphylococcus aureus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.236 FT #SUB 43 43 GLN C 18 18 GLN A Protein A 7 FT #SUB 43 43 GLN C 67 67 LYS A Protein B 2 FT #SUB 44 44 PHE C 13 13 TYR A Protein B 3 FT #SUB 44 44 PHE C 18 18 GLN A Protein B 1 FT #SUB 44 44 PHE C 60 60 LEU A Protein S 1 FT #SUB 44 44 PHE C 63 63 ILE A Protein S 3 FT #SUB 44 44 PHE C 64 64 ALA A Protein S 5 FT #SUB 44 44 PHE C 67 67 LYS A Protein A 2 FT #SUB 45 45 LEU C 13 13 TYR A Protein S 1 FT #SUB 45 45 LEU C 18 18 GLN A Protein A 4 FT #SUB 45 45 LEU C 36 36 MET A Protein S 1 FT #SUB 46 46 TYR C 17 17 ASP A Protein S 1 FT #SUB 46 46 TYR C 18 18 GLN A Protein A 7 FT #SUB 47 47 PHE C 36 36 MET A Protein S 2 FT #SUB 47 47 PHE C 37 37 ALA A Protein S 4 FT #SUB 67 67 GLU C 39 39 LYS A Protein S 6 FT #SUB 89 89 TYR C 39 39 LYS A Protein S 1 FT #SUB 92 92 GLN C 55 55 GLU A Protein S 2 FT #SUB 92 92 GLN C 57 57 GLN A Protein S 10 FT #SUB 94 94 TYR C 57 57 GLN A Protein S 2 FT #SUB 94 94 TYR C 60 60 LEU A Protein S 3 FT #SUB 94 94 TYR C 61 61 ALA A Protein S 7 FT #SUB 95 95 PHE C 64 64 ALA A Protein B 3 FT #SUB 96 96 SER C 64 64 ALA A Protein S 3 FT #SUB 96 96 SER C 67 67 LYS A Protein A 5 FT #SUB 96 96 SER C 68 68 ALA A Protein S 1 FT #SUB 98 98 LYS C 71 71 GLU A Protein B 5 FT #SUB 115 115 TYR C 39 39 LYS A Protein S 4 FT #SUB 207 207 LYS C 55 55 GLU A Protein S 1 FT #SUB 209 209 ASP C 57 57 GLN A Protein S 4 FT #SUB 211 211 SER C 39 39 LYS A Protein S 2 FT #SUB 211 211 SER C 57 57 GLN A Protein S 2 FT #SUB 212 212 LYS C 57 57 GLN A Protein S 2 FT #SUB 215 215 MET C 37 37 ALA A Protein S 1 FT #SUB 215 215 MET C 38 38 LYS A Protein S 1 FT DISORDER 1 1 FT DISORDER 99 108 FT DISORDER 238 239 CC SEQUENCE 226 AA (ATOM); CC SQPDPKPDEL HKSSKFTGLM ENMKVLYDDN HVSAINVKSI DQFLYFDLIY SIKDTKLGNY CC DNVRVEFKNK DLADKYKDKY VDVFGANYYY QCYFSKKKRK TCMYGGVTEH NGNQLDKYRS CC ITVRVFEDGK NLLSFDVQTN KKKVTAQELD YLTRHYLVKN KKLYEFNNSP YETGYIKFIE CC NENSFWYDMM PAPGDKFDQS KYLMMYNDNK MVDSKDVKIE VYLTTK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES ESQPDPKPDELHKSSKFTGLMENMKVLYDDNHVSAINVKSIDQFLYFDLI CC ATOM -SQPDPKPDELHKSSKFTGLMENMKVLYDDNHVSAINVKSIDQFLYFDLI CC ************************************************* CC SEQRES YSIKDTKLGNYDNVRVEFKNKDLADKYKDKYVDVFGANYYYQCYFSKKTN CC ATOM YSIKDTKLGNYDNVRVEFKNKDLADKYKDKYVDVFGANYYYQCYFSKK-- CC ************************************************ CC SEQRES DINSHQTDKRKTCMYGGVTEHNGNQLDKYRSITVRVFEDGKNLLSFDVQT CC ATOM --------KRKTCMYGGVTEHNGNQLDKYRSITVRVFEDGKNLLSFDVQT CC ****************************************** CC SEQRES NKKKVTAQELDYLTRHYLVKNKKLYEFNNSPYETGYIKFIENENSFWYDM CC ATOM NKKKVTAQELDYLTRHYLVKNKKLYEFNNSPYETGYIKFIENENSFWYDM CC ************************************************** CC SEQRES MPAPGDKFDQSKYLMMYNDNKMVDSKDVKIEVYLTTKKK CC ATOM MPAPGDKFDQSKYLMMYNDNKMVDSKDVKIEVYLTTK-- CC ************************************* SQ SEQUENCE 239 AA; MW; CN; ESQPDPKPDE LHKSSKFTGL MENMKVLYDD NHVSAINVKS IDQFLYFDLI YSIKDTKLGN YDNVRVEFKN KDLADKYKDK YVDVFGANYY YQCYFSKKTN DINSHQTDKR KTCMYGGVTE HNGNQLDKYR SITVRVFEDG KNLLSFDVQT NKKKVTAQEL DYLTRHYLVK NKKLYEFNNS PYETGYIKFI ENENSFWYDM MPAPGDKFDQ SKYLMMYNDN KMVDSKDVKI EVYLTTKKK // ID 1D5MD STANDARD; PRT; 9 AA. DT CONVERTED FROM PDB (SEQRES) 1D5M DE INHIBITOR OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.236 FT #SUB 1 803 ACE D 53 53 SER A Protein A 3 FT #SUB 2 804 ALC D 31 31 ILE A Protein S 2 FT #SUB 2 804 ALC D 32 32 PHE A Protein S 1 FT #SUB 2 804 ALC D 43 43 TRP A Protein S 1 FT #SUB 2 804 ALC D 53 53 SER A Protein A 4 FT #SUB 2 804 ALC D 54 54 PHE A Protein B 1 FT #SUB 3 805 ARG D 24 24 PHE A Protein B 1 FT #SUB 4 806 ALA D 9 9 GLN A Protein A 3 FT #SUB 4 806 ALA D 54 54 PHE A Protein S 2 FT #SUB 5 807 MET D 9 9 GLN A Protein A 9 FT #SUB 5 807 MET D 62 62 ASN A Protein B 2 FT #SUB 6 808 CY1 D 62 62 ASN A Protein B 2 FT #SUB 7 809 SER D 11 11 GLU A Protein S 4 FT #SUB 7 809 SER D 62 62 ASN A Protein A 3 FT #SUB 7 809 SER D 65 65 VAL A Protein B 1 FT #SUB 7 809 SER D 66 66 ASP A Protein S 2 FT #SUB 8 810 LEU D 65 65 VAL A Protein B 2 FT #SUB 8 810 LEU D 69 69 ASN A Protein B 3 FT #SUB 9 811 NH2 D 65 65 VAL A Protein B 1 FT #SUB 1 803 ACE D 81 81 HIS B Protein B 4 FT #SUB 1 803 ACE D 85 85 VAL B Protein B 3 FT #SUB 2 804 ALC D 82 82 ASN B Protein A 6 FT #SUB 2 804 ALC D 85 85 VAL B Protein A 7 FT #SUB 2 804 ALC D 86 86 GLY B Protein S 2 FT #SUB 3 805 ARG D 77 77 THR B Protein S 5 FT #SUB 3 805 ARG D 78 78 TYR B Protein B 2 FT #SUB 3 805 ARG D 81 81 HIS B Protein S 20 FT #SUB 3 805 ARG D 82 82 ASN B Protein A 10 FT #SUB 4 806 ALA D 78 78 TYR B Protein B 1 FT #SUB 5 807 MET D 13 13 HIS B Protein A 6 FT #SUB 5 807 MET D 26 26 PHE B Protein S 1 FT #SUB 5 807 MET D 28 28 ASP B Protein S 1 FT #SUB 5 807 MET D 71 71 LYS B Protein S 1 FT #SUB 5 807 MET D 74 74 ALA B Protein S 1 FT #SUB 5 807 MET D 78 78 TYR B Protein A 10 FT #SUB 6 808 CY1 D 13 13 HIS B Protein B 1 FT #SUB 6 808 CY1 D 67 67 LEU B Protein S 1 FT #SUB 6 808 CY1 D 70 70 GLN B Protein S 2 FT #SUB 7 809 SER D 11 11 VAL B Protein S 1 FT #SUB 7 809 SER D 13 13 HIS B Protein S 2 FT #SUB 7 809 SER D 30 30 TYR B Protein B 2 FT #SUB 8 810 LEU D 30 30 TYR B Protein A 6 FT #SUB 8 810 LEU D 47 47 TYR B Protein S 3 FT #SUB 8 810 LEU D 61 61 TRP B Protein A 7 FT #SUB 8 810 LEU D 67 67 LEU B Protein S 2 CC SEQUENCE 9 AA (ATOM); CC XXRAMXSLX CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XXRAMXSLX CC ATOM XXRAMXSLX CC ********* SQ SEQUENCE 9 AA; MW; CN; XXRAMXSLX //