ID 3R5RA STANDARD; PRT; 112 AA. DT CONVERTED FROM PDB (SEQRES) 3R5R DE Deazaflavin-dependent nitroreductase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.229 FT #SUB 54 93 LYS A 54 93 LYS B Protein A 2 FT #SUB 55 94 ALA A 73 112 ARG B Protein B 1 FT #SUB 56 95 ASN A 73 112 ARG B Protein S 4 FT #SUB 57 96 PRO A 57 96 PRO B Protein S 4 FT #SUB 57 96 PRO A 72 111 ALA B Protein S 1 FT #SUB 57 96 PRO A 73 112 ARG B Protein S 1 FT #SUB 58 97 LYS A 71 110 THR B Protein S 1 FT #SUB 58 97 LYS A 112 151 PRO B Protein S 2 FT #SUB 71 110 THR A 58 97 LYS B Protein S 3 FT #SUB 73 112 ARG A 55 94 ALA B Protein S 1 FT #SUB 73 112 ARG A 56 95 ASN B Protein S 4 FT #SUB 73 112 ARG A 57 96 PRO B Protein S 1 FT #SUB 112 151 PRO A 58 97 LYS B Protein B 2 FT #SUB 4 43 LYS A 4 43 LYS C Protein S 7 FT #SUB 4 43 LYS A 91 130 TYR C Protein B 1 FT #SUB 7 46 VAL A 24 63 PRO C Protein S 2 FT #SUB 9 48 LEU A 9 48 LEU C Protein S 1 FT #SUB 9 48 LEU A 22 61 VAL C Protein S 1 FT #SUB 22 61 VAL A 9 48 LEU C Protein S 1 FT #SUB 22 61 VAL A 62 101 GLN C Protein B 3 FT #SUB 24 63 PRO A 7 46 VAL C Protein S 2 FT #SUB 26 65 TYR A 4 43 LYS C Protein S 1 FT #SUB 62 101 GLN A 22 61 VAL C Protein S 3 FT #HET 6 45 PRO A 3 1 F42 C A 3 FT #HET 7 46 VAL A 3 1 F42 C B 1 FT #HET 14 53 GLY A 1 1 F42 A B 7 FT #HET 15 54 ARG A 1 1 F42 A A 9 FT #HET 16 55 LYS A 1 1 F42 A A 9 FT #HET 17 56 THR A 1 1 F42 A A 10 FT #HET 21 60 ARG A 1 1 F42 A S 14 FT #HET 23 62 ASN A 1 1 F42 A S 6 FT #HET 24 63 PRO A 1 1 F42 A A 16 FT #HET 25 64 LEU A 1 1 F42 A A 10 FT #HET 26 65 TYR A 1 1 F42 A A 9 FT #HET 37 76 ALA A 1 1 F42 A B 3 FT #HET 38 77 ALA A 1 1 F42 A B 2 FT #HET 39 78 SER A 1 1 F42 A A 5 FT #HET 40 79 LYS A 1 1 F42 A A 9 FT #HET 47 86 PRO A 1 1 F42 A A 6 FT #HET 48 87 MET A 1 1 F42 A A 14 FT #HET 49 88 TRP A 1 1 F42 A A 13 FT #HET 52 91 ASN A 1 1 F42 A S 4 FT #HET 65 104 LYS A 3 1 F42 C S 2 FT #HET 94 133 TYR A 1 1 F42 A S 4 FT DISORDER 1 3 CC SEQUENCE 109 AA (ATOM); CC KIPVALLTTT GRKTGQPRVN PLYFLRDGGR VIVAASKGGA EKNPMWYLNL KANPKVQVQI CC KKEVLDLTAR DATDEERAEY WPQLVTMYPS YQDYQSWTDR TIPIVVCEP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GFQKIPVALLTTTGRKTGQPRVNPLYFLRDGGRVIVAASKGGAEKNPMWY CC ATOM ---KIPVALLTTTGRKTGQPRVNPLYFLRDGGRVIVAASKGGAEKNPMWY CC *********************************************** CC SEQRES LNLKANPKVQVQIKKEVLDLTARDATDEERAEYWPQLVTMYPSYQDYQSW CC ATOM LNLKANPKVQVQIKKEVLDLTARDATDEERAEYWPQLVTMYPSYQDYQSW CC ************************************************** CC SEQRES TDRTIPIVVCEP CC ATOM TDRTIPIVVCEP CC ************ SQ SEQUENCE 112 AA; MW; CN; GFQKIPVALL TTTGRKTGQP RVNPLYFLRD GGRVIVAASK GGAEKNPMWY LNLKANPKVQ VQIKKEVLDL TARDATDEER AEYWPQLVTM YPSYQDYQSW TDRTIPIVVC EP // ID 3R5RB STANDARD; PRT; 112 AA. DT CONVERTED FROM PDB (SEQRES) 3R5R DE Deazaflavin-dependent nitroreductase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.229 FT #SUB 54 93 LYS B 54 93 LYS A Protein A 2 FT #SUB 55 94 ALA B 73 112 ARG A Protein B 1 FT #SUB 56 95 ASN B 73 112 ARG A Protein S 4 FT #SUB 57 96 PRO B 57 96 PRO A Protein S 4 FT #SUB 57 96 PRO B 73 112 ARG A Protein S 1 FT #SUB 58 97 LYS B 71 110 THR A Protein S 3 FT #SUB 58 97 LYS B 112 151 PRO A Protein S 2 FT #SUB 71 110 THR B 58 97 LYS A Protein S 1 FT #SUB 72 111 ALA B 57 96 PRO A Protein B 1 FT #SUB 73 112 ARG B 55 94 ALA A Protein S 1 FT #SUB 73 112 ARG B 56 95 ASN A Protein S 4 FT #SUB 73 112 ARG B 57 96 PRO A Protein S 1 FT #SUB 112 151 PRO B 58 97 LYS A Protein B 2 FT #SUB 4 43 LYS B 100 139 TRP D Protein B 2 FT #SUB 5 44 ILE B 100 139 TRP D Protein S 1 FT #SUB 6 45 PRO B 100 139 TRP D Protein S 8 FT #SUB 27 66 PHE B 100 139 TRP D Protein A 3 FT #SUB 28 67 LEU B 99 138 SER D Protein A 4 FT #SUB 29 68 ARG B 99 138 SER D Protein A 6 FT #SUB 29 68 ARG B 100 139 TRP D Protein S 2 FT #SUB 29 68 ARG B 101 140 THR D Protein S 6 FT #SUB 29 68 ARG B 102 141 ASP D Protein S 4 FT #SUB 31 70 GLY B 102 141 ASP D Protein B 11 FT #SUB 32 71 GLY B 102 141 ASP D Protein B 4 FT #SUB 64 103 LYS B 42 81 GLY D Protein S 1 FT #SUB 64 103 LYS B 44 83 GLU D Protein S 1 FT #SUB 66 105 GLU B 44 83 GLU D Protein S 12 FT #SUB 90 129 MET B 100 139 TRP D Protein S 4 FT #HET 14 53 GLY B 2 1 F42 B B 7 FT #HET 15 54 ARG B 2 1 F42 B A 9 FT #HET 16 55 LYS B 2 1 F42 B A 9 FT #HET 17 56 THR B 2 1 F42 B A 11 FT #HET 21 60 ARG B 2 1 F42 B S 18 FT #HET 23 62 ASN B 2 1 F42 B S 4 FT #HET 24 63 PRO B 2 1 F42 B A 16 FT #HET 25 64 LEU B 2 1 F42 B A 10 FT #HET 26 65 TYR B 2 1 F42 B A 8 FT #HET 37 76 ALA B 2 1 F42 B B 3 FT #HET 38 77 ALA B 2 1 F42 B B 2 FT #HET 39 78 SER B 2 1 F42 B A 5 FT #HET 40 79 LYS B 2 1 F42 B A 8 FT #HET 47 86 PRO B 2 1 F42 B A 7 FT #HET 48 87 MET B 2 1 F42 B A 16 FT #HET 49 88 TRP B 2 1 F42 B A 12 FT #HET 52 91 ASN B 2 1 F42 B S 3 FT #HET 94 133 TYR B 2 1 F42 B S 3 FT DISORDER 1 3 CC SEQUENCE 109 AA (ATOM); CC KIPVALLTTT GRKTGQPRVN PLYFLRDGGR VIVAASKGGA EKNPMWYLNL KANPKVQVQI CC KKEVLDLTAR DATDEERAEY WPQLVTMYPS YQDYQSWTDR TIPIVVCEP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GFQKIPVALLTTTGRKTGQPRVNPLYFLRDGGRVIVAASKGGAEKNPMWY CC ATOM ---KIPVALLTTTGRKTGQPRVNPLYFLRDGGRVIVAASKGGAEKNPMWY CC *********************************************** CC SEQRES LNLKANPKVQVQIKKEVLDLTARDATDEERAEYWPQLVTMYPSYQDYQSW CC ATOM LNLKANPKVQVQIKKEVLDLTARDATDEERAEYWPQLVTMYPSYQDYQSW CC ************************************************** CC SEQRES TDRTIPIVVCEP CC ATOM TDRTIPIVVCEP CC ************ SQ SEQUENCE 112 AA; MW; CN; GFQKIPVALL TTTGRKTGQP RVNPLYFLRD GGRVIVAASK GGAEKNPMWY LNLKANPKVQ VQIKKEVLDL TARDATDEER AEYWPQLVTM YPSYQDYQSW TDRTIPIVVC EP // ID 3R5RC STANDARD; PRT; 112 AA. DT CONVERTED FROM PDB (SEQRES) 3R5R DE Deazaflavin-dependent nitroreductase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.229 FT #SUB 4 43 LYS C 4 43 LYS A Protein S 7 FT #SUB 4 43 LYS C 26 65 TYR A Protein B 1 FT #SUB 7 46 VAL C 24 63 PRO A Protein S 2 FT #SUB 9 48 LEU C 9 48 LEU A Protein S 1 FT #SUB 9 48 LEU C 22 61 VAL A Protein S 1 FT #SUB 22 61 VAL C 9 48 LEU A Protein S 1 FT #SUB 22 61 VAL C 62 101 GLN A Protein B 3 FT #SUB 24 63 PRO C 7 46 VAL A Protein S 2 FT #SUB 62 101 GLN C 22 61 VAL A Protein S 3 FT #SUB 91 130 TYR C 4 43 LYS A Protein S 1 FT #SUB 4 43 LYS C 100 139 TRP E Protein B 1 FT #SUB 5 44 ILE C 100 139 TRP E Protein S 1 FT #SUB 6 45 PRO C 100 139 TRP E Protein S 9 FT #SUB 27 66 PHE C 100 139 TRP E Protein A 5 FT #SUB 28 67 LEU C 99 138 SER E Protein A 6 FT #SUB 29 68 ARG C 99 138 SER E Protein A 6 FT #SUB 29 68 ARG C 100 139 TRP E Protein S 2 FT #SUB 29 68 ARG C 101 140 THR E Protein S 6 FT #SUB 29 68 ARG C 102 141 ASP E Protein S 3 FT #SUB 31 70 GLY C 102 141 ASP E Protein B 11 FT #SUB 32 71 GLY C 102 141 ASP E Protein B 4 FT #SUB 66 105 GLU C 44 83 GLU E Protein S 12 FT #SUB 90 129 MET C 96 135 ASP E Protein A 2 FT #SUB 90 129 MET C 100 139 TRP E Protein S 4 FT #HET 6 45 PRO C 1 1 F42 A A 3 FT #HET 7 46 VAL C 1 1 F42 A B 1 FT #HET 7 46 VAL C 3 1 F42 C S 1 FT #HET 14 53 GLY C 3 1 F42 C B 7 FT #HET 15 54 ARG C 3 1 F42 C A 9 FT #HET 16 55 LYS C 3 1 F42 C A 10 FT #HET 17 56 THR C 3 1 F42 C A 11 FT #HET 21 60 ARG C 3 1 F42 C S 15 FT #HET 23 62 ASN C 3 1 F42 C S 6 FT #HET 24 63 PRO C 3 1 F42 C A 16 FT #HET 25 64 LEU C 3 1 F42 C A 9 FT #HET 26 65 TYR C 3 1 F42 C A 8 FT #HET 37 76 ALA C 3 1 F42 C B 3 FT #HET 38 77 ALA C 3 1 F42 C B 2 FT #HET 39 78 SER C 3 1 F42 C A 5 FT #HET 40 79 LYS C 3 1 F42 C A 9 FT #HET 47 86 PRO C 3 1 F42 C A 5 FT #HET 48 87 MET C 3 1 F42 C A 13 FT #HET 49 88 TRP C 3 1 F42 C A 11 FT #HET 52 91 ASN C 3 1 F42 C S 7 FT #HET 65 104 LYS C 1 1 F42 A S 9 FT #HET 94 133 TYR C 3 1 F42 C S 4 FT DISORDER 1 3 CC SEQUENCE 109 AA (ATOM); CC KIPVALLTTT GRKTGQPRVN PLYFLRDGGR VIVAASKGGA EKNPMWYLNL KANPKVQVQI CC KKEVLDLTAR DATDEERAEY WPQLVTMYPS YQDYQSWTDR TIPIVVCEP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GFQKIPVALLTTTGRKTGQPRVNPLYFLRDGGRVIVAASKGGAEKNPMWY CC ATOM ---KIPVALLTTTGRKTGQPRVNPLYFLRDGGRVIVAASKGGAEKNPMWY CC *********************************************** CC SEQRES LNLKANPKVQVQIKKEVLDLTARDATDEERAEYWPQLVTMYPSYQDYQSW CC ATOM LNLKANPKVQVQIKKEVLDLTARDATDEERAEYWPQLVTMYPSYQDYQSW CC ************************************************** CC SEQRES TDRTIPIVVCEP CC ATOM TDRTIPIVVCEP CC ************ SQ SEQUENCE 112 AA; MW; CN; GFQKIPVALL TTTGRKTGQP RVNPLYFLRD GGRVIVAASK GGAEKNPMWY LNLKANPKVQ VQIKKEVLDL TARDATDEER AEYWPQLVTM YPSYQDYQSW TDRTIPIVVC EP // ID 3R5RD STANDARD; PRT; 112 AA. DT CONVERTED FROM PDB (SEQRES) 3R5R DE Deazaflavin-dependent nitroreductase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.229 FT #SUB 42 81 GLY D 64 103 LYS B Protein B 1 FT #SUB 44 83 GLU D 64 103 LYS B Protein B 1 FT #SUB 44 83 GLU D 66 105 GLU B Protein S 12 FT #SUB 99 138 SER D 28 67 LEU B Protein A 4 FT #SUB 99 138 SER D 29 68 ARG B Protein B 6 FT #SUB 100 139 TRP D 4 43 LYS B Protein S 2 FT #SUB 100 139 TRP D 5 44 ILE B Protein S 1 FT #SUB 100 139 TRP D 6 45 PRO B Protein S 8 FT #SUB 100 139 TRP D 27 66 PHE B Protein A 3 FT #SUB 100 139 TRP D 29 68 ARG B Protein B 2 FT #SUB 100 139 TRP D 90 129 MET B Protein S 4 FT #SUB 101 140 THR D 29 68 ARG B Protein B 6 FT #SUB 102 141 ASP D 29 68 ARG B Protein A 4 FT #SUB 102 141 ASP D 31 70 GLY B Protein A 11 FT #SUB 102 141 ASP D 32 71 GLY B Protein S 4 FT #HET 14 53 GLY D 4 1 F42 D B 7 FT #HET 15 54 ARG D 4 1 F42 D A 9 FT #HET 16 55 LYS D 4 1 F42 D A 8 FT #HET 17 56 THR D 4 1 F42 D A 9 FT #HET 21 60 ARG D 4 1 F42 D S 13 FT #HET 23 62 ASN D 4 1 F42 D S 4 FT #HET 24 63 PRO D 4 1 F42 D A 15 FT #HET 25 64 LEU D 4 1 F42 D A 9 FT #HET 26 65 TYR D 4 1 F42 D A 6 FT #HET 37 76 ALA D 4 1 F42 D B 3 FT #HET 38 77 ALA D 4 1 F42 D B 2 FT #HET 39 78 SER D 4 1 F42 D A 5 FT #HET 40 79 LYS D 4 1 F42 D A 9 FT #HET 47 86 PRO D 4 1 F42 D A 5 FT #HET 48 87 MET D 4 1 F42 D A 19 FT #HET 49 88 TRP D 4 1 F42 D A 11 FT #HET 52 91 ASN D 4 1 F42 D S 4 FT #HET 94 133 TYR D 4 1 F42 D S 4 FT DISORDER 1 3 CC SEQUENCE 109 AA (ATOM); CC KIPVALLTTT GRKTGQPRVN PLYFLRDGGR VIVAASKGGA EKNPMWYLNL KANPKVQVQI CC KKEVLDLTAR DATDEERAEY WPQLVTMYPS YQDYQSWTDR TIPIVVCEP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GFQKIPVALLTTTGRKTGQPRVNPLYFLRDGGRVIVAASKGGAEKNPMWY CC ATOM ---KIPVALLTTTGRKTGQPRVNPLYFLRDGGRVIVAASKGGAEKNPMWY CC *********************************************** CC SEQRES LNLKANPKVQVQIKKEVLDLTARDATDEERAEYWPQLVTMYPSYQDYQSW CC ATOM LNLKANPKVQVQIKKEVLDLTARDATDEERAEYWPQLVTMYPSYQDYQSW CC ************************************************** CC SEQRES TDRTIPIVVCEP CC ATOM TDRTIPIVVCEP CC ************ SQ SEQUENCE 112 AA; MW; CN; GFQKIPVALL TTTGRKTGQP RVNPLYFLRD GGRVIVAASK GGAEKNPMWY LNLKANPKVQ VQIKKEVLDL TARDATDEER AEYWPQLVTM YPSYQDYQSW TDRTIPIVVC EP // ID 3R5RE STANDARD; PRT; 112 AA. DT CONVERTED FROM PDB (SEQRES) 3R5R DE Deazaflavin-dependent nitroreductase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.229 FT #SUB 44 83 GLU E 66 105 GLU C Protein S 12 FT #SUB 96 135 ASP E 90 129 MET C Protein S 2 FT #SUB 99 138 SER E 28 67 LEU C Protein A 6 FT #SUB 99 138 SER E 29 68 ARG C Protein B 6 FT #SUB 100 139 TRP E 4 43 LYS C Protein S 1 FT #SUB 100 139 TRP E 5 44 ILE C Protein S 1 FT #SUB 100 139 TRP E 6 45 PRO C Protein S 9 FT #SUB 100 139 TRP E 27 66 PHE C Protein A 5 FT #SUB 100 139 TRP E 29 68 ARG C Protein B 2 FT #SUB 100 139 TRP E 90 129 MET C Protein S 4 FT #SUB 101 140 THR E 29 68 ARG C Protein B 6 FT #SUB 102 141 ASP E 29 68 ARG C Protein A 3 FT #SUB 102 141 ASP E 31 70 GLY C Protein A 11 FT #SUB 102 141 ASP E 32 71 GLY C Protein S 4 FT #HET 14 53 GLY E 5 1 F42 E B 7 FT #HET 15 54 ARG E 5 1 F42 E A 8 FT #HET 16 55 LYS E 5 1 F42 E A 10 FT #HET 17 56 THR E 5 1 F42 E A 11 FT #HET 21 60 ARG E 5 1 F42 E S 19 FT #HET 23 62 ASN E 5 1 F42 E S 3 FT #HET 24 63 PRO E 5 1 F42 E A 13 FT #HET 25 64 LEU E 5 1 F42 E A 10 FT #HET 26 65 TYR E 5 1 F42 E A 8 FT #HET 37 76 ALA E 5 1 F42 E B 3 FT #HET 38 77 ALA E 5 1 F42 E B 2 FT #HET 39 78 SER E 5 1 F42 E A 6 FT #HET 40 79 LYS E 5 1 F42 E A 11 FT #HET 47 86 PRO E 5 1 F42 E A 6 FT #HET 48 87 MET E 5 1 F42 E A 14 FT #HET 49 88 TRP E 5 1 F42 E A 13 FT #HET 52 91 ASN E 5 1 F42 E S 6 FT #HET 94 133 TYR E 5 1 F42 E S 4 FT DISORDER 1 3 CC SEQUENCE 109 AA (ATOM); CC KIPVALLTTT GRKTGQPRVN PLYFLRDGGR VIVAASKGGA EKNPMWYLNL KANPKVQVQI CC KKEVLDLTAR DATDEERAEY WPQLVTMYPS YQDYQSWTDR TIPIVVCEP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GFQKIPVALLTTTGRKTGQPRVNPLYFLRDGGRVIVAASKGGAEKNPMWY CC ATOM ---KIPVALLTTTGRKTGQPRVNPLYFLRDGGRVIVAASKGGAEKNPMWY CC *********************************************** CC SEQRES LNLKANPKVQVQIKKEVLDLTARDATDEERAEYWPQLVTMYPSYQDYQSW CC ATOM LNLKANPKVQVQIKKEVLDLTARDATDEERAEYWPQLVTMYPSYQDYQSW CC ************************************************** CC SEQRES TDRTIPIVVCEP CC ATOM TDRTIPIVVCEP CC ************ SQ SEQUENCE 112 AA; MW; CN; GFQKIPVALL TTTGRKTGQP RVNPLYFLRD GGRVIVAASK GGAEKNPMWY LNLKANPKVQ VQIKKEVLDL TARDATDEER AEYWPQLVTM YPSYQDYQSW TDRTIPIVVC EP //