Structure of PDB 6nvy Chain B Binding Site BS01

Receptor Information
>6nvy Chain B (length=536) Species: 1221996 (Bacillus thermotolerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAMIVGEDKSKTGNALLFSGPQVGFVAPGFLYEVGLHAPGFDMEGSGFI
GYPFIMFGANKHIALTATAGYGNVTDIFEEKLHPNDPTQYFYKGEWREME
KRTETFTVRGEDGKPEQVETVFYRTVHGPVISIDEERGVAYSKSWSFRGT
EAQSMQAYMKANWAKNLKEFEEAASEYTMSLNWYYADKRGNIAYYHAGKQ
PVRNEEIDERLPTPGTGEYDWQGFQPFEQNPQAVNPDNGYVVNWNNKPSQ
EWRNGERSFYWGKDNRVQQFINGMEEREKVDLEDLNEINYTASFAQLRTH
YFKPLLIEVLKENQSDNESYPYLIKQLEQWNNLKEDKNKDGLYDAGVAAF
FDKWWSITHDELFAQPLGSVSNLTQEITDHRYGATLAYKILAGEETNYPW
MSKEEAEQIIINSADQALAELHEEKGTKAENWRMPIDTMTFGETSLIGVQ
HGYGSDTPIIEMNRGSENHYLEMTPSGPKGFNITPPGQVGFIHKDGTVSE
HYEDQVQMFANWEFKPFLFDRKEVREAAVSITDLNV
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 chain6nvy Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6nvy Crystal structures and protein engineering of three different penicillin G acylases from Gram-positive bacteria with different thermostability.
Resolution2.27 Å
Binding residue
(original residue number in PDB)		N73 T75 D76 E256
Binding residue
(residue number reindexed from 1)		N73 T75 D76 E256
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S1 Q23 A69 N245 N468
Catalytic site (residue number reindexed from 1) S1 Q23 A69 N245 N468
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:6nvy, PDBe:6nvy, PDBj:6nvy
PDBsum6nvy
PubMed31227867
UniProtA0A0F5I5V4

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