6NKA
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine
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 | 9 |
Details | binding site for residue SO4 A 301 |
Chain | Residue |
A | GLY12 |
A | VAL13 |
A | GLY14 |
A | LYS15 |
A | THR16 |
A | DCZ302 |
A | HOH436 |
A | HOH451 |
A | HOH491 |
site_id | AC2 |
Number of Residues | 7 |
Details | binding site for residue DCZ A 302 |
Chain | Residue |
A | GLY169 |
A | PRO197 |
A | GLY199 |
A | ALA200 |
A | ALA201 |
A | SO4301 |
A | HOH402 |
site_id | AC3 |
Number of Residues | 11 |
Details | binding site for residue SO4 B 301 |
Chain | Residue |
B | GLY12 |
B | VAL13 |
B | GLY14 |
B | LYS15 |
B | THR16 |
B | DCZ302 |
B | HOH405 |
B | HOH412 |
B | HOH452 |
B | HOH487 |
B | HOH492 |
site_id | AC4 |
Number of Residues | 10 |
Details | binding site for residue DCZ B 302 |
Chain | Residue |
B | GLY12 |
B | GLY169 |
B | LEU196 |
B | PRO197 |
B | GLY199 |
B | ALA200 |
B | ALA201 |
B | SO4301 |
B | HOH429 |
B | HOH483 |
site_id | AC5 |
Number of Residues | 8 |
Details | binding site for residue SO4 C 301 |
Chain | Residue |
C | GLY12 |
C | VAL13 |
C | GLY14 |
C | LYS15 |
C | THR16 |
C | DCZ302 |
C | HOH401 |
C | HOH465 |
site_id | AC6 |
Number of Residues | 9 |
Details | binding site for residue DCZ C 302 |
Chain | Residue |
C | GLY169 |
C | LEU196 |
C | PRO197 |
C | GLY199 |
C | ALA200 |
C | ALA201 |
C | SO4301 |
C | HOH407 |
C | HOH409 |
site_id | AC7 |
Number of Residues | 10 |
Details | binding site for residue SO4 D 301 |
Chain | Residue |
D | GLY12 |
D | VAL13 |
D | GLY14 |
D | LYS15 |
D | THR16 |
D | DCZ302 |
D | HOH412 |
D | HOH416 |
D | HOH419 |
D | HOH422 |
site_id | AC8 |
Number of Residues | 10 |
Details | binding site for residue DCZ D 302 |
Chain | Residue |
D | GLY12 |
D | VAL17 |
D | GLY169 |
D | LEU196 |
D | PRO197 |
D | GLY199 |
D | ALA200 |
D | ALA201 |
D | SO4301 |
D | HOH418 |
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 |