ID 3FW4A STANDARD; PRT; 178 AA. DT CONVERTED FROM PDB (SEQRES) 3FW4 DE Neutrophil gelatinase-associated lipocalin OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.258 FT #SUB 26 26 GLN A 26 26 GLN C Protein S 1 FT #SUB 30 30 LYS A 21 21 ASN C Protein A 4 FT #SUB 115 115 TYR A 23 23 GLN C Protein B 1 FT #SUB 115 115 TYR A 26 26 GLN C Protein S 1 FT #SUB 116 116 ASN A 23 23 GLN C Protein A 7 FT #SUB 116 116 ASN A 26 26 GLN C Protein S 4 FT #SUB 116 116 ASN A 115 115 TYR C Protein A 2 FT #SUB 117 117 GLN A 114 114 ASN C Protein S 1 FT #SUB 140 140 ARG A 21 21 ASN C Protein A 6 FT #SUB 140 140 ARG A 23 23 GLN C Protein S 10 FT #SUB 141 141 THR A 19 19 GLN C Protein S 1 FT #SUB 141 141 THR A 20 20 GLN C Protein A 5 FT #SUB 142 142 LYS A 20 20 GLN C Protein A 10 FT #SUB 143 143 GLU A 20 20 GLN C Protein S 1 FT #HET 13 13 LEU A 3 181 NA A S 2 FT #HET 54 54 THR A 5 183 CL A S 2 FT #HET 79 79 TRP A 9 187 CL A S 1 FT #HET 81 81 ARG A 5 183 CL A S 1 FT #HET 96 96 ASN A 7 185 GOL A S 3 FT #HET 99 99 SER A 7 185 GOL A S 2 FT #HET 103 103 LEU A 10 188 CL A S 1 FT #HET 106 106 TYR A 1 179 FE A S 2 FT #HET 106 106 TYR A 2 180 CAQ A S 2 FT #HET 117 117 GLN A 18 181 NA C S 2 FT #HET 118 118 HIS A 12 190 CL A S 1 FT #HET 123 123 PHE A 2 180 CAQ A A 6 FT #HET 124 124 LYS A 2 180 CAQ A B 5 FT #HET 125 125 LYS A 2 180 CAQ A A 10 FT #HET 125 125 LYS A 10 188 CL A S 1 FT #HET 132 132 TYR A 2 180 CAQ A A 5 FT #HET 132 132 TYR A 11 189 CL A S 2 FT #HET 133 133 PHE A 2 180 CAQ A B 4 FT #HET 134 134 LYS A 2 180 CAQ A A 13 FT #HET 138 138 TYR A 5 183 CL A S 3 FT #HET 142 142 LYS A 6 184 GOL A S 5 FT #HET 143 143 GLU A 6 184 GOL A S 6 FT #HET 145 145 THR A 8 186 GOL A S 1 FT #HET 146 146 SER A 8 186 GOL A A 8 FT #HET 147 147 GLU A 8 186 GOL A B 1 FT #HET 173 173 ASP A 6 184 GOL A S 4 FT DISORDER 1 4 CC SEQUENCE 174 AA (ATOM); CC SDLIPAPPLS KVPLQQNFQD NQFQGKWYVV GLAGNAILRE DKDPQKMYAT IYELKEDKSY CC NVTSVLFRKK KCDYWIRTFV PGSQPGEFTL GNIKSYPGLT SYLVRVVSTN YNQHAMVFFK CC KVSQNREYFK ITLYGRTKEL TSELKENFIR FSKSLGLPEN HIVFPVPIDQ CIDG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQK CC ATOM ----SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQK CC ********************************************** CC SEQRES MYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGSQPGEFTLGNIKSY CC ATOM MYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGSQPGEFTLGNIKSY CC ************************************************** CC SEQRES PGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKE CC ATOM PGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKE CC ************************************************** CC SEQRES NFIRFSKSLGLPENHIVFPVPIDQCIDG CC ATOM NFIRFSKSLGLPENHIVFPVPIDQCIDG CC **************************** SQ SEQUENCE 178 AA; MW; CN; QDSTSDLIPA PPLSKVPLQQ NFQDNQFQGK WYVVGLAGNA ILREDKDPQK MYATIYELKE DKSYNVTSVL FRKKKCDYWI RTFVPGSQPG EFTLGNIKSY PGLTSYLVRV VSTNYNQHAM VFFKKVSQNR EYFKITLYGR TKELTSELKE NFIRFSKSLG LPENHIVFPV PIDQCIDG // ID 3FW4B STANDARD; PRT; 178 AA. DT CONVERTED FROM PDB (SEQRES) 3FW4 DE Neutrophil gelatinase-associated lipocalin OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.258 FT #HET 52 52 TYR B 14 180 CL B S 3 FT #HET 54 54 THR B 14 180 CL B S 1 FT #HET 79 79 TRP B 15 181 CL B S 1 FT #HET 80 80 ILE B 15 181 CL B B 1 FT #HET 81 81 ARG B 13 179 FE B S 1 FT #HET 81 81 ARG B 14 180 CL B S 1 FT #HET 81 81 ARG B 15 181 CL B S 1 FT #HET 100 100 TYR B 15 181 CL B S 2 FT #HET 106 106 TYR B 13 179 FE B S 2 FT DISORDER 1 5 FT DISORDER 26 27 FT DISORDER 43 48 FT DISORDER 63 63 FT DISORDER 74 75 FT DISORDER 84 88 FT DISORDER 117 118 FT DISORDER 146 155 FT DISORDER 165 167 CC SEQUENCE 142 AA (ATOM); CC DLIPAPPLSK VPLQQNFQDN QGKWYVVGLA GNAILQKMYA TIYELKEDKY NVTSVLFRKC CC DYWIRTFPGE FTLGNIKSYP GLTSYLVRVV STNYNAMVFF KKVSQNREYF KITLYGRTKE CC LTSKSLGLPE NFPVPIDQCI DG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQK CC ATOM -----DLIPAPPLSKVPLQQNFQDN--QGKWYVVGLAGNAIL------QK CC ******************** *************** ** CC SEQRES MYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGSQPGEFTLGNIKSY CC ATOM MYATIYELKEDK-YNVTSVLFRK--CDYWIRTF-----PGEFTLGNIKSY CC ************ ********** ******** ************ CC SEQRES PGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKE CC ATOM PGLTSYLVRVVSTNYN--AMVFFKKVSQNREYFKITLYGRTKELT----- CC **************** *************************** CC SEQRES NFIRFSKSLGLPENHIVFPVPIDQCIDG CC ATOM -----SKSLGLPEN---FPVPIDQCIDG CC ********* *********** SQ SEQUENCE 178 AA; MW; CN; QDSTSDLIPA PPLSKVPLQQ NFQDNQFQGK WYVVGLAGNA ILREDKDPQK MYATIYELKE DKSYNVTSVL FRKKKCDYWI RTFVPGSQPG EFTLGNIKSY PGLTSYLVRV VSTNYNQHAM VFFKKVSQNR EYFKITLYGR TKELTSELKE NFIRFSKSLG LPENHIVFPV PIDQCIDG // ID 3FW4C STANDARD; PRT; 178 AA. DT CONVERTED FROM PDB (SEQRES) 3FW4 DE Neutrophil gelatinase-associated lipocalin OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.258 FT #SUB 19 19 GLN C 141 141 THR A Protein S 1 FT #SUB 20 20 GLN C 141 141 THR A Protein A 5 FT #SUB 20 20 GLN C 142 142 LYS A Protein S 10 FT #SUB 20 20 GLN C 143 143 GLU A Protein S 1 FT #SUB 21 21 ASN C 30 30 LYS A Protein S 4 FT #SUB 21 21 ASN C 140 140 ARG A Protein S 6 FT #SUB 23 23 GLN C 115 115 TYR A Protein S 1 FT #SUB 23 23 GLN C 116 116 ASN A Protein S 7 FT #SUB 23 23 GLN C 140 140 ARG A Protein S 10 FT #SUB 26 26 GLN C 26 26 GLN A Protein S 1 FT #SUB 26 26 GLN C 115 115 TYR A Protein S 1 FT #SUB 26 26 GLN C 116 116 ASN A Protein S 4 FT #SUB 114 114 ASN C 117 117 GLN A Protein S 1 FT #SUB 115 115 TYR C 116 116 ASN A Protein S 2 FT #HET 5 5 SER C 27 190 GOL C S 1 FT #HET 17 17 PRO C 26 189 GOL C S 1 FT #HET 18 18 LEU C 26 189 GOL C B 5 FT #HET 19 19 GLN C 26 189 GOL C A 6 FT #HET 20 20 GLN C 6 184 GOL A S 4 FT #HET 20 20 GLN C 26 189 GOL C A 4 FT #HET 22 22 PHE C 23 186 GOL C A 6 FT #HET 24 24 ASP C 23 186 GOL C S 4 FT #HET 40 40 ALA C 25 188 GOL C S 1 FT #HET 59 59 LYS C 28 3731 GOL C S 1 FT #HET 60 60 GLU C 28 3731 GOL C A 7 FT #HET 61 61 ASP C 28 3731 GOL C B 1 FT #HET 79 79 TRP C 22 185 GOL C S 4 FT #HET 81 81 ARG C 22 185 GOL C S 3 FT #HET 85 85 PRO C 23 186 GOL C A 3 FT #HET 88 88 GLN C 23 186 GOL C B 1 FT #HET 89 89 PRO C 23 186 GOL C A 5 FT #HET 90 90 GLY C 23 186 GOL C B 5 FT #HET 91 91 GLU C 23 186 GOL C B 4 FT #HET 92 92 PHE C 23 186 GOL C S 8 FT #HET 93 93 THR C 24 187 GOL C S 3 FT #HET 94 94 LEU C 24 187 GOL C B 1 FT #HET 97 97 ILE C 24 187 GOL C S 2 FT #HET 103 103 LEU C 30 192 CL C S 2 FT #HET 105 105 SER C 24 187 GOL C S 2 FT #HET 106 106 TYR C 16 179 FE C S 1 FT #HET 106 106 TYR C 24 187 GOL C A 10 FT #HET 111 111 VAL C 26 189 GOL C B 3 FT #HET 112 112 SER C 26 189 GOL C A 2 FT #HET 114 114 ASN C 18 181 NA C S 2 FT #HET 116 116 ASN C 29 191 GOL C A 5 FT #HET 123 123 PHE C 17 180 CAQ C A 4 FT #HET 124 124 LYS C 17 180 CAQ C B 3 FT #HET 125 125 LYS C 17 180 CAQ C A 16 FT #HET 125 125 LYS C 25 188 GOL C S 2 FT #HET 125 125 LYS C 30 192 CL C S 1 FT #HET 130 130 ARG C 27 190 GOL C S 10 FT #HET 132 132 TYR C 17 180 CAQ C A 3 FT #HET 132 132 TYR C 25 188 GOL C S 7 FT #HET 133 133 PHE C 17 180 CAQ C B 3 FT #HET 134 134 LYS C 17 180 CAQ C A 13 FT #HET 140 140 ARG C 29 191 GOL C S 6 FT #HET 146 146 SER C 20 183 NA C A 2 FT #HET 165 165 HIS C 19 182 NA C S 1 FT DISORDER 1 4 FT DISORDER 178 178 CC SEQUENCE 173 AA (ATOM); CC SDLIPAPPLS KVPLQQNFQD NQFQGKWYVV GLAGNAILRE DKDPQKMYAT IYELKEDKSY CC NVTSVLFRKK KCDYWIRTFV PGSQPGEFTL GNIKSYPGLT SYLVRVVSTN YNQHAMVFFK CC KVSQNREYFK ITLYGRTKEL TSELKENFIR FSKSLGLPEN HIVFPVPIDQ CID CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES QDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQK CC ATOM ----SDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQK CC ********************************************** CC SEQRES MYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGSQPGEFTLGNIKSY CC ATOM MYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGSQPGEFTLGNIKSY CC ************************************************** CC SEQRES PGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKE CC ATOM PGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKE CC ************************************************** CC SEQRES NFIRFSKSLGLPENHIVFPVPIDQCIDG CC ATOM NFIRFSKSLGLPENHIVFPVPIDQCID- CC *************************** SQ SEQUENCE 178 AA; MW; CN; QDSTSDLIPA PPLSKVPLQQ NFQDNQFQGK WYVVGLAGNA ILREDKDPQK MYATIYELKE DKSYNVTSVL FRKKKCDYWI RTFVPGSQPG EFTLGNIKSY PGLTSYLVRV VSTNYNQHAM VFFKKVSQNR EYFKITLYGR TKELTSELKE NFIRFSKSLG LPENHIVFPV PIDQCIDG //