2GYO
Methanethiol-Cys 112 Inhibition Complex of E. Coli Ketoacyl Synthase III (FabH) and Coenzyme A
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0006633 | biological_process | fatty acid biosynthetic process |
| A | 0016746 | molecular_function | acyltransferase activity |
| A | 0033818 | molecular_function | beta-ketoacyl-acyl-carrier-protein synthase III activity |
| A | 0044281 | biological_process | small molecule metabolic process |
| B | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0006633 | biological_process | fatty acid biosynthetic process |
| B | 0016746 | molecular_function | acyltransferase activity |
| B | 0033818 | molecular_function | beta-ketoacyl-acyl-carrier-protein synthase III activity |
| B | 0044281 | biological_process | small molecule metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 318 |
| Chain | Residue |
| A | TYR125 |
| A | ALA130 |
| B | THR177 |
| B | LEU179 |
| B | HOH534 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 319 |
| Chain | Residue |
| B | HOH417 |
| B | LYS4 |
| B | SER169 |
| B | GLU170 |
| B | GLU171 |
| site_id | AC3 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE COA A 962 |
| Chain | Residue |
| A | THR28 |
| A | TRP32 |
| A | ARG36 |
| A | ARG151 |
| A | MET207 |
| A | GLY209 |
| A | ASN210 |
| A | PHE213 |
| A | ALA246 |
| A | ASN247 |
| A | ARG249 |
| A | ASN274 |
| A | PHE304 |
| A | HOH490 |
| A | HOH497 |
| A | MEE963 |
| B | ARG40 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MEE A 963 |
| Chain | Residue |
| A | ALA111 |
| A | CYS112 |
| A | GLY306 |
| A | COA962 |
| B | PHE87 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | ACT_SITE: ACT_SITE => ECO:0000255|HAMAP-Rule:MF_01815, ECO:0000305|PubMed:10593943, ECO:0000305|PubMed:10673437, ECO:0000305|PubMed:11243824 |
| Chain | Residue | Details |
| A | CYS112 | |
| A | HIS244 | |
| A | ASN274 | |
| B | CYS112 | |
| B | HIS244 | |
| B | ASN274 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1cgk |
| Chain | Residue | Details |
| A | ASN274 | |
| A | CYS112 | |
| A | PHE157 | |
| A | HIS244 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1cgk |
| Chain | Residue | Details |
| B | ASN274 | |
| B | CYS112 | |
| B | PHE157 | |
| B | HIS244 |
