6S7Z
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-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 | 17 |
Details | binding site for residue KZN A 501 |
Chain | Residue |
A | LEU303 |
C | ASN394 |
C | HIS397 |
C | ARG400 |
C | LEU401 |
C | ARG432 |
C | KZN501 |
C | HOH615 |
C | HOH729 |
A | THR304 |
A | GLY305 |
A | LEU429 |
A | ARG432 |
A | HOH734 |
A | HOH770 |
C | GLY305 |
C | ALA307 |
site_id | AC2 |
Number of Residues | 6 |
Details | binding site for residue MG B 501 |
Chain | Residue |
B | HOH791 |
C | HOH703 |
C | HOH859 |
D | HOH543 |
D | HOH660 |
D | HOH738 |
site_id | AC3 |
Number of Residues | 9 |
Details | binding site for residue FMT B 502 |
Chain | Residue |
B | GLY317 |
B | SER318 |
B | MET321 |
B | LYS324 |
B | ASN326 |
C | ASN140 |
C | HOH656 |
D | THR186 |
D | HIS187 |
site_id | AC4 |
Number of Residues | 16 |
Details | binding site for residue KZN C 501 |
Chain | Residue |
A | GLY305 |
A | ALA307 |
A | ASN394 |
A | HIS397 |
A | ARG400 |
A | LEU401 |
A | ARG432 |
A | KZN501 |
A | HOH614 |
A | HOH717 |
C | LEU303 |
C | THR304 |
C | LEU429 |
C | ARG432 |
C | HOH636 |
C | HOH780 |
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_FI1 |
Number of Residues | 4 |
Details | ACT_SITE: Proton donor/acceptor => ECO:0000255|HAMAP-Rule:MF_00743, ECO:0000305|PubMed:22561013, ECO:0007744|PDB:4ADL, ECO:0007744|PDB:4ADM |
Chain | Residue | Details |
A | HIS187 | |
B | HIS187 | |
C | HIS187 | |
D | HIS187 |
site_id | SWS_FT_FI2 |
Number of Residues | 4 |
Details | ACT_SITE: ACT_SITE => ECO:0000255|HAMAP-Rule:MF_00743, ECO:0000269|PubMed:22561013, ECO:0007744|PDB:4ADM |
Chain | Residue | Details |
A | SER318 | |
B | SER318 | |
C | SER318 | |
D | SER318 |
site_id | SWS_FT_FI3 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00743, ECO:0000269|PubMed:22561013, ECO:0000269|PubMed:27325754, ECO:0007744|PDB:4ADL, ECO:0007744|PDB:4ADM, ECO:0007744|PDB:4APB, ECO:0007744|PDB:5F92 |
Chain | Residue | Details |
A | SER104 | |
B | SER104 | |
C | SER104 | |
D | SER104 |
site_id | SWS_FT_FI4 |
Number of Residues | 4 |
Details | BINDING: in site B => ECO:0000255|HAMAP-Rule:MF_00743 |
Chain | Residue | Details |
A | HIS128 | |
B | HIS128 | |
C | HIS128 | |
D | HIS128 |
site_id | SWS_FT_FI5 |
Number of Residues | 8 |
Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00743, ECO:0000269|PubMed:22561013, ECO:0000269|PubMed:27325754, ECO:0007744|PDB:4ADL, ECO:0007744|PDB:4ADM, ECO:0007744|PDB:4APB, ECO:0007744|PDB:5F91, ECO:0007744|PDB:5F92 |
Chain | Residue | Details |
A | SER138 | |
A | LYS324 | |
B | SER138 | |
B | LYS324 | |
C | SER138 | |
C | LYS324 | |
D | SER138 | |
D | LYS324 |
site_id | SWS_FT_FI6 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00743, ECO:0000269|PubMed:22561013, ECO:0000269|PubMed:27325754, ECO:0007744|PDB:4ADL, ECO:0007744|PDB:4APB, ECO:0007744|PDB:5F91, ECO:0007744|PDB:5F92 |
Chain | Residue | Details |
A | THR186 | |
B | THR186 | |
C | THR186 | |
D | THR186 |
site_id | SWS_FT_FI7 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00743, ECO:0000269|PubMed:22561013, ECO:0000269|PubMed:27325754, ECO:0007744|PDB:4ADL, ECO:0007744|PDB:4APB, ECO:0007744|PDB:5F92 |
Chain | Residue | Details |
A | SER319 | |
B | SER319 | |
C | SER319 | |
D | SER319 |
site_id | SWS_FT_FI8 |
Number of Residues | 4 |
Details | SITE: Important for catalytic activity => ECO:0000255|HAMAP-Rule:MF_00743 |
Chain | Residue | Details |
A | GLU331 | |
B | GLU331 | |
C | GLU331 | |
D | GLU331 |
site_id | SWS_FT_FI9 |
Number of Residues | 4 |
Details | MOD_RES: N-acetylalanine => ECO:0007744|PubMed:21969609 |
Chain | Residue | Details |
A | ALA2 | |
B | ALA2 | |
C | ALA2 | |
D | ALA2 |