1XPK
CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS HMG-COA SYNTHASE WITH HMG-CoA AND WITH ACETOACETYL-COA AND ACETYLATED CYSTEINE
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 | 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 | 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 | 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 | 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 | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1501 |
| Chain | Residue |
| A | HIS191 |
| A | LYS192 |
| A | TYR193 |
| A | HOH1580 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1502 |
| Chain | Residue |
| A | SER147 |
| A | GLY148 |
| A | HOH1553 |
| site_id | AC3 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE HMG A 1401 |
| Chain | Residue |
| A | LYS32 |
| A | GLY36 |
| A | GLU79 |
| A | ALA110 |
| A | SCY111 |
| A | TYR143 |
| A | GLY148 |
| A | GLY149 |
| A | PHE185 |
| A | GLY198 |
| A | SER201 |
| A | HIS233 |
| A | PRO235 |
| A | PHE236 |
| A | ASN275 |
| A | GLY306 |
| A | SER307 |
| A | HOH1518 |
| A | HOH1605 |
| A | HOH1639 |
| C | ALA330 |
| C | ALA333 |
| C | ASN337 |
| A | ASP29 |
| A | ASN31 |
| site_id | AC4 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE CAA A 1402 |
| Chain | Residue |
| A | ASP29 |
| A | ASN31 |
| A | LYS32 |
| A | GLY36 |
| A | SCY111 |
| A | TYR143 |
| A | GLY148 |
| A | GLY149 |
| A | PHE185 |
| A | GLY198 |
| A | SER201 |
| A | TYR205 |
| A | HIS233 |
| A | PRO235 |
| A | PHE236 |
| A | ASN275 |
| A | TYR277 |
| A | SER307 |
| A | HOH1518 |
| A | HOH1605 |
| A | HOH1639 |
| C | ALA330 |
| C | ALA333 |
| C | ASN337 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 2501 |
| Chain | Residue |
| B | HIS191 |
| B | LYS192 |
| B | TYR193 |
| B | HOH2603 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 2502 |
| Chain | Residue |
| B | SER147 |
| B | GLY148 |
| site_id | AC7 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE CAA B 2402 |
| Chain | Residue |
| B | ASP29 |
| B | ASN31 |
| B | LYS32 |
| B | GLY36 |
| B | SCY111 |
| B | TYR143 |
| B | GLY148 |
| B | GLY149 |
| B | SER201 |
| B | TYR205 |
| B | HIS233 |
| B | PRO235 |
| B | PHE236 |
| B | ASN275 |
| B | SER307 |
| B | HOH2539 |
| B | HOH2617 |
| B | HOH2628 |
| D | ALA330 |
| D | ALA333 |
| D | ASN337 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 3501 |
| Chain | Residue |
| C | HIS191 |
| C | LYS192 |
| C | TYR193 |
| C | HOH3522 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 3502 |
| Chain | Residue |
| C | SER147 |
| C | GLY148 |
| C | HOH3542 |
| C | HOH3627 |
| site_id | BC1 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE HMG C 3401 |
| Chain | Residue |
| C | CYS111 |
| C | TYR143 |
| C | GLY148 |
| C | GLY149 |
| C | PHE185 |
| C | GLY198 |
| C | SER201 |
| C | TYR205 |
| C | HIS233 |
| C | PRO235 |
| C | PHE236 |
| C | ASN275 |
| C | GLY306 |
| C | SER307 |
| C | HOH3514 |
| C | HOH3639 |
| A | ALA330 |
| A | ALA333 |
| C | ASP29 |
| C | ASN31 |
| C | LYS32 |
| C | GLY36 |
| C | GLU79 |
| C | ALA110 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 D 4501 |
| Chain | Residue |
| D | HIS191 |
| D | LYS192 |
| D | TYR193 |
| D | HOH4611 |
| site_id | BC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 D 4502 |
| Chain | Residue |
| D | SER147 |
| D | GLY148 |
| site_id | BC4 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE CAA D 4402 |
| Chain | Residue |
| B | ALA330 |
| B | ALA333 |
| B | ASN337 |
| D | ASP29 |
| D | ASN31 |
| D | LYS32 |
| D | GLY36 |
| D | SCY111 |
| D | TYR143 |
| D | GLY148 |
| D | GLY149 |
| D | PHE185 |
| D | GLY198 |
| D | SER201 |
| D | TYR205 |
| D | HIS233 |
| D | PRO235 |
| D | PHE236 |
| D | ASN275 |
| D | SER307 |
| D | HOH4518 |
| site_id | BC5 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE HMG D 4401 |
| Chain | Residue |
| B | ALA330 |
| B | ALA333 |
| B | ASN337 |
| D | ASP29 |
| D | ASN31 |
| D | LYS32 |
| D | GLY36 |
| D | GLU79 |
| D | ALA110 |
| D | SCY111 |
| D | TYR143 |
| D | GLY148 |
| D | GLY149 |
| D | THR152 |
| D | PHE185 |
| D | GLY198 |
| D | SER201 |
| D | TYR205 |
| D | HIS233 |
| D | PRO235 |
| D | PHE236 |
| D | ASN275 |
| D | GLY306 |
| D | SER307 |
| D | HOH4518 |
