7JT5
Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 9
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0004141 | molecular_function | dethiobiotin synthase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0009102 | biological_process | biotin biosynthetic process |
| A | 0016874 | molecular_function | ligase activity |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0004141 | molecular_function | dethiobiotin synthase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0009102 | biological_process | biotin biosynthetic process |
| B | 0016874 | molecular_function | ligase activity |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0004141 | molecular_function | dethiobiotin synthase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0009102 | biological_process | biotin biosynthetic process |
| C | 0016874 | molecular_function | ligase activity |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0000287 | molecular_function | magnesium ion binding |
| D | 0004141 | molecular_function | dethiobiotin synthase activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0009102 | biological_process | biotin biosynthetic process |
| D | 0016874 | molecular_function | ligase activity |
| D | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 401 |
| Chain | Residue |
| A | THR140 |
| A | ASP142 |
| A | GLY144 |
| A | THR145 |
| A | HIS148 |
| A | HOH525 |
| B | SO4404 |
| site_id | AC2 |
| Number of Residues | 22 |
| Details | binding site for residue VJS A 402 |
| Chain | Residue |
| A | LYS37 |
| A | GLN40 |
| A | THR41 |
| A | ASP47 |
| A | ASP49 |
| A | ALA73 |
| A | PRO74 |
| A | ALA110 |
| A | GLY111 |
| A | VAL115 |
| A | SO4403 |
| A | HOH503 |
| A | HOH507 |
| A | HOH560 |
| B | LEU143 |
| B | GLY144 |
| B | THR145 |
| B | LEU146 |
| B | ASN147 |
| B | HOH526 |
| A | THR11 |
| A | LYS15 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | binding site for residue SO4 A 403 |
| Chain | Residue |
| A | GLY12 |
| A | VAL13 |
| A | GLY14 |
| A | LYS15 |
| A | THR16 |
| A | VJS402 |
| A | SO4405 |
| A | HOH503 |
| A | HOH521 |
| A | HOH571 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 A 404 |
| Chain | Residue |
| A | GLY10 |
| A | THR11 |
| B | LEU143 |
| B | GLY144 |
| B | HIS148 |
| B | GOL401 |
| B | HOH528 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 405 |
| Chain | Residue |
| A | GLY12 |
| A | VAL13 |
| A | GLY14 |
| A | GLY169 |
| A | SO4403 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | binding site for residue GOL B 401 |
| Chain | Residue |
| A | SO4404 |
| B | THR140 |
| B | ASP142 |
| B | GLY144 |
| B | THR145 |
| B | HIS148 |
| B | SO4404 |
| B | HOH503 |
| site_id | AC7 |
| Number of Residues | 22 |
| Details | binding site for residue VJS B 402 |
| Chain | Residue |
| A | LEU143 |
| A | GLY144 |
| A | THR145 |
| A | LEU146 |
| A | ASN147 |
| A | HOH514 |
| B | THR11 |
| B | LYS15 |
| B | LYS37 |
| B | GLN40 |
| B | THR41 |
| B | ASP49 |
| B | ALA73 |
| B | PRO74 |
| B | ALA110 |
| B | GLY111 |
| B | VAL115 |
| B | SO4403 |
| B | HOH505 |
| B | HOH527 |
| B | HOH543 |
| B | HOH574 |
| site_id | AC8 |
| Number of Residues | 10 |
| Details | binding site for residue SO4 B 403 |
| Chain | Residue |
| B | GLY12 |
| B | VAL13 |
| B | GLY14 |
| B | LYS15 |
| B | THR16 |
| B | VJS402 |
| B | SO4405 |
| B | HOH505 |
| B | HOH542 |
| B | HOH574 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 B 404 |
| Chain | Residue |
| A | LEU143 |
| A | HIS148 |
| A | GOL401 |
| A | HOH524 |
| B | GLY10 |
| B | THR11 |
| B | GOL401 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 B 405 |
| Chain | Residue |
| B | VAL17 |
| B | SO4403 |
| B | HOH542 |
| B | HOH572 |
| B | GLY14 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue GOL C 401 |
| Chain | Residue |
| C | THR140 |
| C | ASP142 |
| C | GLY144 |
| C | THR145 |
| C | HIS148 |
| C | HOH506 |
| D | SO4404 |
| site_id | AD3 |
| Number of Residues | 23 |
| Details | binding site for residue VJS C 402 |
| Chain | Residue |
| C | THR11 |
| C | LYS15 |
| C | LYS37 |
| C | GLN40 |
| C | THR41 |
| C | ARG45 |
| C | ASP49 |
| C | ALA73 |
| C | PRO74 |
| C | ALA110 |
| C | GLY111 |
| C | VAL115 |
| C | SO4403 |
| C | HOH509 |
| C | HOH513 |
| C | HOH526 |
| C | HOH541 |
| C | HOH561 |
| D | LEU143 |
| D | GLY144 |
| D | THR145 |
| D | LEU146 |
| D | ASN147 |
| site_id | AD4 |
| Number of Residues | 9 |
| Details | binding site for residue SO4 C 403 |
| Chain | Residue |
| C | GLY12 |
| C | VAL13 |
| C | GLY14 |
| C | LYS15 |
| C | THR16 |
| C | VJS402 |
| C | HOH514 |
| C | HOH526 |
| C | HOH575 |
| site_id | AD5 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 C 404 |
| Chain | Residue |
| C | GLY10 |
| C | THR11 |
| C | HOH581 |
| D | GLY144 |
| D | HIS148 |
| D | GOL401 |
| D | HOH513 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 C 405 |
| Chain | Residue |
| B | MET191 |
| B | ARG193 |
| B | TRP220 |
| C | GLY0 |
| C | PRO101 |
| site_id | AD7 |
| Number of Residues | 8 |
| Details | binding site for residue GOL D 401 |
| Chain | Residue |
| C | SO4404 |
| D | THR140 |
| D | ASP142 |
| D | GLY144 |
| D | THR145 |
| D | HIS148 |
| D | SO4404 |
| D | HOH509 |
| site_id | AD8 |
| Number of Residues | 23 |
| Details | binding site for residue VJS D 402 |
| Chain | Residue |
| C | LEU143 |
| C | GLY144 |
| C | THR145 |
| C | LEU146 |
| C | ASN147 |
| C | HOH523 |
| D | THR11 |
| D | LYS15 |
| D | LYS37 |
| D | GLN40 |
| D | THR41 |
| D | ASP49 |
| D | MET72 |
| D | ALA73 |
| D | PRO74 |
| D | ALA110 |
| D | GLY111 |
| D | VAL115 |
| D | SO4403 |
| D | HOH505 |
| D | HOH507 |
| D | HOH521 |
| D | HOH551 |
| site_id | AD9 |
| Number of Residues | 10 |
| Details | binding site for residue SO4 D 403 |
| Chain | Residue |
| D | GLY12 |
| D | VAL13 |
| D | GLY14 |
| D | LYS15 |
| D | THR16 |
| D | VJS402 |
| D | HOH505 |
| D | HOH507 |
| D | HOH525 |
| D | HOH535 |
| site_id | AE1 |
| Number of Residues | 9 |
| Details | binding site for residue SO4 D 404 |
| Chain | Residue |
| C | LEU143 |
| C | GLY144 |
| C | HIS148 |
| C | GOL401 |
| C | HOH528 |
| D | GLY10 |
| D | THR11 |
| D | GOL401 |
| D | HOH553 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: ACT_SITE => ECO:0000255|HAMAP-Rule:MF_00336 |
| Chain | Residue | Details |
| A | LYS37 | |
| B | LYS37 | |
| C | LYS37 | |
| D | LYS37 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:25801336, ECO:0000269|PubMed:30289406, ECO:0000269|DOI:10.1021/acscatal.8b03475, ECO:0007744|PDB:4WOP, ECO:0007744|PDB:6CVE, ECO:0007744|PDB:6CVF, ECO:0007744|PDB:6E05, ECO:0007744|PDB:6E06 |
| Chain | Residue | Details |
| A | THR11 | |
| A | PRO197 | |
| B | THR11 | |
| B | PRO197 | |
| C | THR11 | |
| C | PRO197 | |
| D | THR11 | |
| D | PRO197 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00336, ECO:0000269|PubMed:20565114, ECO:0000269|PubMed:30289406, ECO:0000269|DOI:10.1021/acscatal.8b03475, ECO:0007744|PDB:3FPA, ECO:0007744|PDB:6CVE, ECO:0007744|PDB:6CVF, ECO:0007744|PDB:6CVV, ECO:0007744|PDB:6CZB, ECO:0007744|PDB:6CZC, ECO:0007744|PDB:6CZD, ECO:0007744|PDB:6CZE, ECO:0007744|PDB:6E05, ECO:0007744|PDB:6E06 |
| Chain | Residue | Details |
| A | THR16 | |
| D | THR16 | |
| D | ASP49 | |
| D | GLU108 | |
| A | ASP49 | |
| A | GLU108 | |
| B | THR16 | |
| B | ASP49 | |
| B | GLU108 | |
| C | THR16 | |
| C | ASP49 | |
| C | GLU108 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20565114, ECO:0000269|DOI:10.1021/acscatal.8b03475, ECO:0007744|PDB:3FMF, ECO:0007744|PDB:3FMI, ECO:0007744|PDB:6CVE |
| Chain | Residue | Details |
| A | LYS37 | |
| B | LYS37 | |
| C | LYS37 | |
| D | LYS37 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00336 |
| Chain | Residue | Details |
| A | THR41 | |
| B | THR41 | |
| C | THR41 | |
| D | THR41 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20565114, ECO:0000269|DOI:10.1021/acscatal.8b03475, ECO:0007744|PDB:3FMF, ECO:0007744|PDB:3FMI, ECO:0007744|PDB:3FPA, ECO:0007744|PDB:6CVE |
| Chain | Residue | Details |
| A | GLY144 | |
| B | GLY144 | |
| C | GLY144 | |
| D | GLY144 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:30289406, ECO:0000269|DOI:10.1021/acscatal.8b03475, ECO:0007744|PDB:6CVE, ECO:0007744|PDB:6CVF, ECO:0007744|PDB:6CVU, ECO:0007744|PDB:6E05, ECO:0007744|PDB:6E06 |
| Chain | Residue | Details |
| A | GLY169 | |
| B | GLY169 | |
| C | GLY169 | |
| D | GLY169 |
