Structure of PDB 1cp9 Chain B Binding Site BS01

Receptor Information
>1cp9 Chain B (length=553) Species: 587 (Providencia rettgeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNVWLVGKTKASGAKAILLNGPQFGWFNPAYTYGIGLHGAGFNIVGNTPF
AYPAILFGHNGHVSWGSTAGFGDGVDIFAEQVSPEDPNSYLHQGQWKKML
SRQETLNVKGEQPITFEIYRTVHGNVVKRDKTTHTAYSKARAWDGKELTS
LMAWVKQGQAQNWQQWLDQAQNQALTINWYYADKDGNIGYVHTGHYPDRQ
INHDPRLPVSGTGEWDWKGIQPFANNPKVYNPKSGYIANWNNSPAKNYPA
SDLFAFLWGSADRVKEIDNRIEAYDKLTADDMWAILQQTSRVDLNHRLFT
PFLTQATQGLPSNDNSVKLVSMLQQWDGINQLSSDGKHYIHPGSAILDIW
LKEMLKATLGQTVPAPFDKWYLASGYETTQEGPTGSLNISTGAKLLYESL
LEDKSPISQSIDLFSGQPQNDVIRKTLNTTYQKMIEKYGDNPANWQTPAT
ALTFRENNFFGIPQALPQENFHQNEYHNRGTENDLIVFTEEGVSAWDVVA
PGQSGFISPQGKPSPHYQDQLSLYQQFGKKPLWLNSEDVAPYIESTETLI
IER
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1cp9 Chain B Residue 554 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1cp9 Crystal structure of penicillin G acylase from the Bro1 mutant strain of Providencia rettgeri.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D73 V75 D76 P205 D252
Binding residue
(residue number reindexed from 1)		D73 V75 D76 P205 D252
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S1 Q23 A69 N241 N483
Catalytic site (residue number reindexed from 1) S1 Q23 A69 N241 N483
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
Biological Process
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1cp9, PDBe:1cp9, PDBj:1cp9
PDBsum1cp9
PubMed10548042
UniProtQ7WZI9

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