3V4X
The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthase, mvaS, by Hymeglusin
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004421 | molecular_function | hydroxymethylglutaryl-CoA synthase activity |
| A | 0006084 | biological_process | acetyl-CoA metabolic process |
| A | 0008299 | biological_process | isoprenoid biosynthetic process |
| A | 0010142 | biological_process | farnesyl diphosphate biosynthetic process, mevalonate pathway |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016746 | molecular_function | acyltransferase activity |
| B | 0004421 | molecular_function | hydroxymethylglutaryl-CoA synthase activity |
| B | 0006084 | biological_process | acetyl-CoA metabolic process |
| B | 0008299 | biological_process | isoprenoid biosynthetic process |
| B | 0010142 | biological_process | farnesyl diphosphate biosynthetic process, mevalonate pathway |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016746 | molecular_function | acyltransferase activity |
| C | 0004421 | molecular_function | hydroxymethylglutaryl-CoA synthase activity |
| C | 0006084 | biological_process | acetyl-CoA metabolic process |
| C | 0008299 | biological_process | isoprenoid biosynthetic process |
| C | 0010142 | biological_process | farnesyl diphosphate biosynthetic process, mevalonate pathway |
| C | 0016740 | molecular_function | transferase activity |
| C | 0016746 | molecular_function | acyltransferase activity |
| D | 0004421 | molecular_function | hydroxymethylglutaryl-CoA synthase activity |
| D | 0006084 | biological_process | acetyl-CoA metabolic process |
| D | 0008299 | biological_process | isoprenoid biosynthetic process |
| D | 0010142 | biological_process | farnesyl diphosphate biosynthetic process, mevalonate pathway |
| D | 0016740 | molecular_function | transferase activity |
| D | 0016746 | molecular_function | acyltransferase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE F24 A 500 |
| Chain | Residue |
| A | ILE37 |
| A | HIS233 |
| A | TYR306 |
| A | GLY307 |
| A | SER308 |
| A | HOH758 |
| A | GLU79 |
| A | ALA110 |
| A | CYS111 |
| A | TYR143 |
| A | GLY148 |
| A | GLY149 |
| A | PHE185 |
| A | ASN202 |
| site_id | AC2 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE F24 B 500 |
| Chain | Residue |
| B | GLU79 |
| B | ALA110 |
| B | CYS111 |
| B | TYR143 |
| B | GLY148 |
| B | GLY149 |
| B | PHE185 |
| B | ASN202 |
| B | HIS233 |
| B | TYR306 |
| B | GLY307 |
| B | SER308 |
| B | HOH747 |
| B | HOH765 |
| B | HOH911 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE F24 C 500 |
| Chain | Residue |
| C | ILE37 |
| C | GLU79 |
| C | ALA110 |
| C | CYS111 |
| C | TYR143 |
| C | GLY148 |
| C | GLY149 |
| C | PHE185 |
| C | HIS233 |
| C | GLY307 |
| C | SER308 |
| C | HOH721 |
| site_id | AC4 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE F24 D 500 |
| Chain | Residue |
| D | GLU79 |
| D | ALA110 |
| D | CYS111 |
| D | TYR143 |
| D | GLY148 |
| D | GLY149 |
| D | PHE185 |
| D | ASN202 |
| D | HIS233 |
| D | TYR306 |
| D | GLY307 |
| D | SER308 |
| D | HOH739 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | ACT_SITE: Proton donor/acceptor => ECO:0000250 |
| Chain | Residue | Details |
| A | GLU79 | |
| A | HIS233 | |
| B | GLU79 | |
| B | HIS233 | |
| C | GLU79 | |
| C | HIS233 | |
| D | GLU79 | |
| D | HIS233 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Acyl-thioester intermediate => ECO:0000269|PubMed:16245942 |
| Chain | Residue | Details |
| A | CYS111 | |
| B | CYS111 | |
| C | CYS111 | |
| D | CYS111 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 32 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:P54868 |
| Chain | Residue | Details |
| A | ASP29 | |
| B | CYS111 | |
| B | THR152 | |
| B | SER201 | |
| B | HIS233 | |
| B | LYS242 | |
| B | ASN275 | |
| B | SER308 | |
| C | ASP29 | |
| C | CYS111 | |
| C | THR152 | |
| A | CYS111 | |
| C | SER201 | |
| C | HIS233 | |
| C | LYS242 | |
| C | ASN275 | |
| C | SER308 | |
| D | ASP29 | |
| D | CYS111 | |
| D | THR152 | |
| D | SER201 | |
| D | HIS233 | |
| A | THR152 | |
| D | LYS242 | |
| D | ASN275 | |
| D | SER308 | |
| A | SER201 | |
| A | HIS233 | |
| A | LYS242 | |
| A | ASN275 | |
| A | SER308 | |
| B | ASP29 |
