2PVA
OXIDIZED PENICILLIN V ACYLASE FROM B. SPHAERICUS
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DTD A 1001 |
| Chain | Residue |
| A | MET19 |
| A | PHE21 |
| A | TYR82 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DTD B 1002 |
| Chain | Residue |
| B | OCS1 |
| B | PHE21 |
| B | MET80 |
| B | TYR82 |
| B | HOH1183 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE DTD C 1003 |
| Chain | Residue |
| C | TYR82 |
| C | PHE21 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DTD D 1004 |
| Chain | Residue |
| D | PHE21 |
| D | TYR82 |
| D | LEU142 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Nucleophile => ECO:0000305|PubMed:10331865, ECO:0000305|PubMed:16508111 |
| Chain | Residue | Details |
| A | OCS1 | |
| B | OCS1 | |
| C | OCS1 | |
| D | OCS1 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 241 |
| Chain | Residue | Details |
| A | OCS1 | covalently attached, nucleofuge, nucleophile, proton acceptor, proton donor |
| A | TYR82 | electrostatic stabiliser, hydrogen bond donor |
| A | ASN175 | electrostatic stabiliser, hydrogen bond donor |
| A | ARG228 | activator, hydrogen bond donor, increase acidity, increase basicity, repulsive charge-charge interaction |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 241 |
| Chain | Residue | Details |
| B | OCS1 | covalently attached, nucleofuge, nucleophile, proton acceptor, proton donor |
| B | TYR82 | electrostatic stabiliser, hydrogen bond donor |
| B | ASN175 | electrostatic stabiliser, hydrogen bond donor |
| B | ARG228 | activator, hydrogen bond donor, increase acidity, increase basicity, repulsive charge-charge interaction |
| site_id | MCSA3 |
| Number of Residues | 4 |
| Details | M-CSA 241 |
| Chain | Residue | Details |
| C | OCS1 | covalently attached, nucleofuge, nucleophile, proton acceptor, proton donor |
| C | TYR82 | electrostatic stabiliser, hydrogen bond donor |
| C | ASN175 | electrostatic stabiliser, hydrogen bond donor |
| C | ARG228 | activator, hydrogen bond donor, increase acidity, increase basicity, repulsive charge-charge interaction |
| site_id | MCSA4 |
| Number of Residues | 4 |
| Details | M-CSA 241 |
| Chain | Residue | Details |
| D | OCS1 | covalently attached, nucleofuge, nucleophile, proton acceptor, proton donor |
| D | TYR82 | electrostatic stabiliser, hydrogen bond donor |
| D | ASN175 | electrostatic stabiliser, hydrogen bond donor |
| D | ARG228 | activator, hydrogen bond donor, increase acidity, increase basicity, repulsive charge-charge interaction |
