6XPP
Crystal structure of itaconate modified Mycobaterium tuberculosis isocitrate lyase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004451 | molecular_function | isocitrate lyase activity |
| A | 0005576 | cellular_component | extracellular region |
| A | 0005829 | cellular_component | cytosol |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006097 | biological_process | glyoxylate cycle |
| A | 0006099 | biological_process | tricarboxylic acid cycle |
| A | 0006102 | biological_process | isocitrate metabolic process |
| A | 0016829 | molecular_function | lyase activity |
| A | 0019752 | biological_process | carboxylic acid metabolic process |
| A | 0035375 | molecular_function | zymogen binding |
| A | 0046421 | molecular_function | methylisocitrate lyase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0052572 | biological_process | response to host immune response |
| A | 0071456 | biological_process | cellular response to hypoxia |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004451 | molecular_function | isocitrate lyase activity |
| B | 0005576 | cellular_component | extracellular region |
| B | 0005829 | cellular_component | cytosol |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0006097 | biological_process | glyoxylate cycle |
| B | 0006099 | biological_process | tricarboxylic acid cycle |
| B | 0006102 | biological_process | isocitrate metabolic process |
| B | 0016829 | molecular_function | lyase activity |
| B | 0019752 | biological_process | carboxylic acid metabolic process |
| B | 0035375 | molecular_function | zymogen binding |
| B | 0046421 | molecular_function | methylisocitrate lyase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0052572 | biological_process | response to host immune response |
| B | 0071456 | biological_process | cellular response to hypoxia |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004451 | molecular_function | isocitrate lyase activity |
| C | 0005576 | cellular_component | extracellular region |
| C | 0005829 | cellular_component | cytosol |
| C | 0005886 | cellular_component | plasma membrane |
| C | 0006097 | biological_process | glyoxylate cycle |
| C | 0006099 | biological_process | tricarboxylic acid cycle |
| C | 0006102 | biological_process | isocitrate metabolic process |
| C | 0016829 | molecular_function | lyase activity |
| C | 0019752 | biological_process | carboxylic acid metabolic process |
| C | 0035375 | molecular_function | zymogen binding |
| C | 0046421 | molecular_function | methylisocitrate lyase activity |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0052572 | biological_process | response to host immune response |
| C | 0071456 | biological_process | cellular response to hypoxia |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004451 | molecular_function | isocitrate lyase activity |
| D | 0005576 | cellular_component | extracellular region |
| D | 0005829 | cellular_component | cytosol |
| D | 0005886 | cellular_component | plasma membrane |
| D | 0006097 | biological_process | glyoxylate cycle |
| D | 0006099 | biological_process | tricarboxylic acid cycle |
| D | 0006102 | biological_process | isocitrate metabolic process |
| D | 0016829 | molecular_function | lyase activity |
| D | 0019752 | biological_process | carboxylic acid metabolic process |
| D | 0035375 | molecular_function | zymogen binding |
| D | 0046421 | molecular_function | methylisocitrate lyase activity |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0052572 | biological_process | response to host immune response |
| D | 0071456 | biological_process | cellular response to hypoxia |
Functional Information from PROSITE/UniProt
| site_id | PS00161 |
| Number of Residues | 6 |
| Details | ISOCITRATE_LYASE Isocitrate lyase signature. KKCGHL |
| Chain | Residue | Details |
| A | LYS189-LEU194 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000305|PubMed:24354272 |
| Chain | Residue | Details |
| A | CYS191 | |
| B | CYS191 | |
| C | CYS191 | |
| D | CYS191 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 24 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10932251 |
| Chain | Residue | Details |
| A | SER91 | |
| B | ARG228 | |
| B | ASN313 | |
| B | THR347 | |
| C | SER91 | |
| C | ASP153 | |
| C | GLY192 | |
| C | ARG228 | |
| C | ASN313 | |
| C | THR347 | |
| D | SER91 | |
| A | ASP153 | |
| D | ASP153 | |
| D | GLY192 | |
| D | ARG228 | |
| D | ASN313 | |
| D | THR347 | |
| A | GLY192 | |
| A | ARG228 | |
| A | ASN313 | |
| A | THR347 | |
| B | SER91 | |
| B | ASP153 | |
| B | GLY192 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | CROSSLNK: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup) => ECO:0000269|PubMed:20066036 |
| Chain | Residue | Details |
| A | LYS334 | |
| B | LYS334 | |
| C | LYS334 | |
| D | LYS334 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 7 |
| Details | M-CSA 272 |
| Chain | Residue | Details |
| A | ASP153 | metal ligand |
| A | HIS180 | electrostatic stabiliser, hydrogen bond donor |
| A | CYS191 | covalent catalysis, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay, proton shuttle (general acid/base) |
| A | HIS193 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton shuttle (general acid/base) |
| A | ARG228 | electrostatic stabiliser, hydrogen bond donor |
| A | SER315 | electrostatic stabiliser, hydrogen bond donor |
| A | SER317 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA2 |
| Number of Residues | 7 |
| Details | M-CSA 272 |
| Chain | Residue | Details |
| B | ASP153 | metal ligand |
| B | HIS180 | electrostatic stabiliser, hydrogen bond donor |
| B | CYS191 | covalent catalysis, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay, proton shuttle (general acid/base) |
| B | HIS193 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton shuttle (general acid/base) |
| B | ARG228 | electrostatic stabiliser, hydrogen bond donor |
| B | SER315 | electrostatic stabiliser, hydrogen bond donor |
| B | SER317 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA3 |
| Number of Residues | 7 |
| Details | M-CSA 272 |
| Chain | Residue | Details |
| C | ASP153 | metal ligand |
| C | HIS180 | electrostatic stabiliser, hydrogen bond donor |
| C | CYS191 | covalent catalysis, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay, proton shuttle (general acid/base) |
| C | HIS193 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton shuttle (general acid/base) |
| C | ARG228 | electrostatic stabiliser, hydrogen bond donor |
| C | SER315 | electrostatic stabiliser, hydrogen bond donor |
| C | SER317 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA4 |
| Number of Residues | 7 |
| Details | M-CSA 272 |
| Chain | Residue | Details |
| D | ASP153 | metal ligand |
| D | HIS180 | electrostatic stabiliser, hydrogen bond donor |
| D | CYS191 | covalent catalysis, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay, proton shuttle (general acid/base) |
| D | HIS193 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton shuttle (general acid/base) |
| D | ARG228 | electrostatic stabiliser, hydrogen bond donor |
| D | SER315 | electrostatic stabiliser, hydrogen bond donor |
| D | SER317 | electrostatic stabiliser, hydrogen bond donor |
