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2PVA

OXIDIZED PENICILLIN V ACYLASE FROM B. SPHAERICUS

Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE DTD A 1001
ChainResidue
AMET19
APHE21
ATYR82

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DTD B 1002
ChainResidue
BOCS1
BPHE21
BMET80
BTYR82
BHOH1183

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE DTD C 1003
ChainResidue
CTYR82
CPHE21

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE DTD D 1004
ChainResidue
DPHE21
DTYR82
DLEU142

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Nucleophile => ECO:0000305|PubMed:10331865, ECO:0000305|PubMed:16508111
ChainResidueDetails
AOCS1
BOCS1
COCS1
DOCS1

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 241
ChainResidueDetails
AOCS1covalently attached, nucleofuge, nucleophile, proton acceptor, proton donor
ATYR82electrostatic stabiliser, hydrogen bond donor
AASN175electrostatic stabiliser, hydrogen bond donor
AARG228activator, hydrogen bond donor, increase acidity, increase basicity, repulsive charge-charge interaction

site_idMCSA2
Number of Residues4
DetailsM-CSA 241
ChainResidueDetails
BOCS1covalently attached, nucleofuge, nucleophile, proton acceptor, proton donor
BTYR82electrostatic stabiliser, hydrogen bond donor
BASN175electrostatic stabiliser, hydrogen bond donor
BARG228activator, hydrogen bond donor, increase acidity, increase basicity, repulsive charge-charge interaction

site_idMCSA3
Number of Residues4
DetailsM-CSA 241
ChainResidueDetails
COCS1covalently attached, nucleofuge, nucleophile, proton acceptor, proton donor
CTYR82electrostatic stabiliser, hydrogen bond donor
CASN175electrostatic stabiliser, hydrogen bond donor
CARG228activator, hydrogen bond donor, increase acidity, increase basicity, repulsive charge-charge interaction

site_idMCSA4
Number of Residues4
DetailsM-CSA 241
ChainResidueDetails
DOCS1covalently attached, nucleofuge, nucleophile, proton acceptor, proton donor
DTYR82electrostatic stabiliser, hydrogen bond donor
DASN175electrostatic stabiliser, hydrogen bond donor
DARG228activator, hydrogen bond donor, increase acidity, increase basicity, repulsive charge-charge interaction

225158

PDB entries from 2024-09-18

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