3PVA
PENICILLIN V ACYLASE FROM B. SPHAERICUS
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0008953 | molecular_function | penicillin amidase activity |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0046677 | biological_process | response to antibiotic |
| B | 0008953 | molecular_function | penicillin amidase activity |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0046677 | biological_process | response to antibiotic |
| C | 0008953 | molecular_function | penicillin amidase activity |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0046677 | biological_process | response to antibiotic |
| D | 0008953 | molecular_function | penicillin amidase activity |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0046677 | biological_process | response to antibiotic |
| E | 0008953 | molecular_function | penicillin amidase activity |
| E | 0016787 | molecular_function | hydrolase activity |
| E | 0046677 | biological_process | response to antibiotic |
| F | 0008953 | molecular_function | penicillin amidase activity |
| F | 0016787 | molecular_function | hydrolase activity |
| F | 0046677 | biological_process | response to antibiotic |
| G | 0008953 | molecular_function | penicillin amidase activity |
| G | 0016787 | molecular_function | hydrolase activity |
| G | 0046677 | biological_process | response to antibiotic |
| H | 0008953 | molecular_function | penicillin amidase activity |
| H | 0016787 | molecular_function | hydrolase activity |
| H | 0046677 | biological_process | response to antibiotic |
Functional Information from PDB Data
| site_id | NUC |
| Number of Residues | 1 |
| Details | CATALYTIC NUCLEOPHILE |
| Chain | Residue |
| A | CYS1 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"10331865","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"16508111","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 5 |
| Details | a catalytic site defined by CSA, PubMed 10331865 |
| Chain | Residue | Details |
| A | ASN175 | |
| A | ARG228 | |
| A | CYS1 | |
| A | CYS1 | |
| A | TYR82 |
| site_id | CSA2 |
| Number of Residues | 5 |
| Details | a catalytic site defined by CSA, PubMed 10331865 |
| Chain | Residue | Details |
| B | ASN175 | |
| B | ARG228 | |
| B | CYS1 | |
| B | CYS1 | |
| B | TYR82 |
| site_id | CSA3 |
| Number of Residues | 5 |
| Details | a catalytic site defined by CSA, PubMed 10331865 |
| Chain | Residue | Details |
| C | ASN175 | |
| C | ARG228 | |
| C | CYS1 | |
| C | CYS1 | |
| C | TYR82 |
| site_id | CSA4 |
| Number of Residues | 5 |
| Details | a catalytic site defined by CSA, PubMed 10331865 |
| Chain | Residue | Details |
| D | ASN175 | |
| D | ARG228 | |
| D | CYS1 | |
| D | CYS1 | |
| D | TYR82 |
| site_id | CSA5 |
| Number of Residues | 5 |
| Details | a catalytic site defined by CSA, PubMed 10331865 |
| Chain | Residue | Details |
| E | ASN175 | |
| E | ARG228 | |
| E | CYS1 | |
| E | CYS1 | |
| E | TYR82 |
| site_id | CSA6 |
| Number of Residues | 5 |
| Details | a catalytic site defined by CSA, PubMed 10331865 |
| Chain | Residue | Details |
| F | ASN175 | |
| F | ARG228 | |
| F | CYS1 | |
| F | CYS1 | |
| F | TYR82 |
| site_id | CSA7 |
| Number of Residues | 5 |
| Details | a catalytic site defined by CSA, PubMed 10331865 |
| Chain | Residue | Details |
| G | ASN175 | |
| G | ARG228 | |
| G | CYS1 | |
| G | CYS1 | |
| G | TYR82 |
| site_id | CSA8 |
| Number of Residues | 5 |
| Details | a catalytic site defined by CSA, PubMed 10331865 |
| Chain | Residue | Details |
| H | ASN175 | |
| H | ARG228 | |
| H | CYS1 | |
| H | CYS1 | |
| H | TYR82 |
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 241 |
| Chain | Residue | Details |
| A | CYS1 | 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 | CYS1 | 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 | CYS1 | 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 | CYS1 | 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 |
| site_id | MCSA5 |
| Number of Residues | 4 |
| Details | M-CSA 241 |
| Chain | Residue | Details |
| E | CYS1 | covalently attached, nucleofuge, nucleophile, proton acceptor, proton donor |
| E | TYR82 | electrostatic stabiliser, hydrogen bond donor |
| E | ASN175 | electrostatic stabiliser, hydrogen bond donor |
| E | ARG228 | activator, hydrogen bond donor, increase acidity, increase basicity, repulsive charge-charge interaction |
| site_id | MCSA6 |
| Number of Residues | 4 |
| Details | M-CSA 241 |
| Chain | Residue | Details |
| F | CYS1 | covalently attached, nucleofuge, nucleophile, proton acceptor, proton donor |
| F | TYR82 | electrostatic stabiliser, hydrogen bond donor |
| F | ASN175 | electrostatic stabiliser, hydrogen bond donor |
| F | ARG228 | activator, hydrogen bond donor, increase acidity, increase basicity, repulsive charge-charge interaction |
| site_id | MCSA7 |
| Number of Residues | 4 |
| Details | M-CSA 241 |
| Chain | Residue | Details |
| G | CYS1 | covalently attached, nucleofuge, nucleophile, proton acceptor, proton donor |
| G | TYR82 | electrostatic stabiliser, hydrogen bond donor |
| G | ASN175 | electrostatic stabiliser, hydrogen bond donor |
| G | ARG228 | activator, hydrogen bond donor, increase acidity, increase basicity, repulsive charge-charge interaction |
| site_id | MCSA8 |
| Number of Residues | 4 |
| Details | M-CSA 241 |
| Chain | Residue | Details |
| H | CYS1 | covalently attached, nucleofuge, nucleophile, proton acceptor, proton donor |
| H | TYR82 | electrostatic stabiliser, hydrogen bond donor |
| H | ASN175 | electrostatic stabiliser, hydrogen bond donor |
| H | ARG228 | activator, hydrogen bond donor, increase acidity, increase basicity, repulsive charge-charge interaction |
