6S7W
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(quinolin-4-yl)acetamide
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004333 | molecular_function | fumarate hydratase activity |
| A | 0005576 | cellular_component | extracellular region |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006099 | biological_process | tricarboxylic acid cycle |
| A | 0006106 | biological_process | fumarate metabolic process |
| A | 0009274 | cellular_component | peptidoglycan-based cell wall |
| A | 0016829 | molecular_function | lyase activity |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004333 | molecular_function | fumarate hydratase activity |
| B | 0005576 | cellular_component | extracellular region |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0006099 | biological_process | tricarboxylic acid cycle |
| B | 0006106 | biological_process | fumarate metabolic process |
| B | 0009274 | cellular_component | peptidoglycan-based cell wall |
| B | 0016829 | molecular_function | lyase activity |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004333 | molecular_function | fumarate hydratase activity |
| C | 0005576 | cellular_component | extracellular region |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0005886 | cellular_component | plasma membrane |
| C | 0006099 | biological_process | tricarboxylic acid cycle |
| C | 0006106 | biological_process | fumarate metabolic process |
| C | 0009274 | cellular_component | peptidoglycan-based cell wall |
| C | 0016829 | molecular_function | lyase activity |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004333 | molecular_function | fumarate hydratase activity |
| D | 0005576 | cellular_component | extracellular region |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0005886 | cellular_component | plasma membrane |
| D | 0006099 | biological_process | tricarboxylic acid cycle |
| D | 0006106 | biological_process | fumarate metabolic process |
| D | 0009274 | cellular_component | peptidoglycan-based cell wall |
| D | 0016829 | molecular_function | lyase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 15 |
| Details | binding site for residue KZT A 501 |
| Chain | Residue |
| A | GLY305 |
| A | HOH866 |
| C | LEU303 |
| C | THR304 |
| C | GLY305 |
| C | LEU429 |
| C | ARG432 |
| A | HIS397 |
| A | ARG400 |
| A | LEU401 |
| A | ARG432 |
| A | KZT502 |
| A | HOH612 |
| A | HOH731 |
| A | HOH848 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | binding site for residue KZT A 502 |
| Chain | Residue |
| A | LEU303 |
| A | THR304 |
| A | LEU429 |
| A | ARG432 |
| A | KZT501 |
| A | HOH826 |
| A | HOH844 |
| C | GLY305 |
| C | HIS397 |
| C | ARG400 |
| C | LEU401 |
| C | ARG432 |
| C | HOH550 |
| C | HOH641 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | binding site for residue FMT B 501 |
| Chain | Residue |
| B | GLY317 |
| B | SER318 |
| B | MET321 |
| B | LYS324 |
| B | ASN326 |
| C | ASN140 |
| D | THR186 |
| D | HIS187 |
| D | HOH585 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 502 |
| Chain | Residue |
| B | HOH706 |
| B | HOH775 |
| C | HOH778 |
| D | HOH606 |
| D | HOH627 |
| D | HOH778 |
Functional Information from PROSITE/UniProt
| site_id | PS00163 |
| Number of Residues | 10 |
| Details | FUMARATE_LYASES Fumarate lyases signature. GSsiMpGKvN |
| Chain | Residue | Details |
| A | GLY317-ASN326 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"HAMAP-Rule","id":"MF_00743","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"22561013","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"4ADL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4ADM","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00743","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"22561013","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27325754","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4ADL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4ADM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4APB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F92","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 12 |
| Details | Binding site: {"description":"in site B","evidences":[{"source":"HAMAP-Rule","id":"MF_00743","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 16 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00743","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"22561013","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27325754","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4ADL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4ADM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4APB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F91","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F92","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00743","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"22561013","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27325754","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4ADL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4APB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F91","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F92","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | Site: {"description":"Important for catalytic activity","evidences":[{"source":"HAMAP-Rule","id":"MF_00743","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 1 |
| Details | Active site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00743","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"22561013","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4ADM","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00743","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"22561013","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27325754","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4ADL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4APB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F92","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
