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 | 0006696 | biological_process | ergosterol biosynthetic process |
A | 0008299 | biological_process | isoprenoid biosynthetic process |
A | 0010142 | biological_process | farnesyl diphosphate biosynthetic process, mevalonate pathway |
A | 0016746 | molecular_function | acyltransferase activity |
B | 0004421 | molecular_function | hydroxymethylglutaryl-CoA synthase activity |
B | 0006084 | biological_process | acetyl-CoA metabolic process |
B | 0006696 | biological_process | ergosterol biosynthetic process |
B | 0008299 | biological_process | isoprenoid biosynthetic process |
B | 0010142 | biological_process | farnesyl diphosphate biosynthetic process, mevalonate pathway |
B | 0016746 | molecular_function | acyltransferase activity |
C | 0004421 | molecular_function | hydroxymethylglutaryl-CoA synthase activity |
C | 0006084 | biological_process | acetyl-CoA metabolic process |
C | 0006696 | biological_process | ergosterol biosynthetic process |
C | 0008299 | biological_process | isoprenoid biosynthetic process |
C | 0010142 | biological_process | farnesyl diphosphate biosynthetic process, mevalonate pathway |
C | 0016746 | molecular_function | acyltransferase activity |
D | 0004421 | molecular_function | hydroxymethylglutaryl-CoA synthase activity |
D | 0006084 | biological_process | acetyl-CoA metabolic process |
D | 0006696 | biological_process | ergosterol biosynthetic process |
D | 0008299 | biological_process | isoprenoid biosynthetic process |
D | 0010142 | biological_process | farnesyl diphosphate biosynthetic process, mevalonate pathway |
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 | 12 |
Details | BINDING: BINDING => ECO:0000250 |
Chain | Residue | Details |
A | ASP29 | |
A | SER201 | |
A | ASN275 | |
B | ASP29 | |
B | SER201 | |
B | ASN275 | |
C | ASP29 | |
C | SER201 | |
C | ASN275 | |
D | ASP29 | |
D | SER201 | |
D | ASN275 |