6NWN
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with glutamic acid linked compound 10
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 | 13 |
Details | binding site for residue CIT A 401 |
Chain | Residue |
A | THR11 |
A | GLY111 |
A | L6M402 |
A | HOH510 |
A | HOH530 |
A | GLY12 |
A | VAL13 |
A | GLY14 |
A | LYS15 |
A | THR16 |
A | ASP49 |
A | GLU108 |
A | ALA110 |
site_id | AC2 |
Number of Residues | 26 |
Details | binding site for residue L6M A 402 |
Chain | Residue |
A | THR11 |
A | THR41 |
A | ARG45 |
A | ASP47 |
A | PRO71 |
A | MET72 |
A | ALA73 |
A | GLY111 |
A | VAL115 |
A | GLY169 |
A | LEU196 |
A | PRO197 |
A | GLY199 |
A | ALA200 |
A | ALA201 |
A | CIT401 |
A | HOH533 |
A | HOH568 |
A | HOH621 |
A | HOH629 |
B | LEU143 |
B | GLY144 |
B | THR145 |
B | LEU146 |
B | ASN147 |
B | HOH438 |
site_id | AC3 |
Number of Residues | 13 |
Details | binding site for residue CIT B 301 |
Chain | Residue |
B | THR11 |
B | GLY12 |
B | VAL13 |
B | GLY14 |
B | LYS15 |
B | THR16 |
B | ASP49 |
B | GLU108 |
B | GLY111 |
B | HOH419 |
B | HOH428 |
B | HOH468 |
B | HOH513 |
site_id | AC4 |
Number of Residues | 13 |
Details | binding site for residue CIT C 301 |
Chain | Residue |
C | THR11 |
C | GLY12 |
C | VAL13 |
C | GLY14 |
C | LYS15 |
C | THR16 |
C | ASP49 |
C | GLU108 |
C | GLY111 |
C | HOH401 |
C | HOH406 |
C | HOH469 |
C | HOH488 |
site_id | AC5 |
Number of Residues | 12 |
Details | binding site for residue CIT D 401 |
Chain | Residue |
D | THR11 |
D | GLY12 |
D | VAL13 |
D | GLY14 |
D | LYS15 |
D | THR16 |
D | ASP49 |
D | GLU108 |
D | GLY111 |
D | L6M402 |
D | HOH507 |
D | HOH528 |
site_id | AC6 |
Number of Residues | 24 |
Details | binding site for residue L6M D 402 |
Chain | Residue |
D | HOH513 |
D | HOH566 |
C | LEU143 |
C | GLY144 |
C | THR145 |
C | LEU146 |
C | ASN147 |
C | HOH461 |
D | THR11 |
D | ARG45 |
D | PRO71 |
D | MET72 |
D | ALA73 |
D | PRO74 |
D | VAL115 |
D | GLY169 |
D | SER170 |
D | LEU196 |
D | PRO197 |
D | GLY199 |
D | ALA200 |
D | ALA201 |
D | CIT401 |
D | HOH505 |
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 |