Structure of PDB 7r6b Chain B Binding Site BS01

Receptor Information
>7r6b Chain B (length=301) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKSIYVAYTGGTIGMQRGYIPVSGHLQRQLALMPEFHDPEMPDFTIHEYA
PLIDSSDMTPEDWQHIANDIQQNYDLYDGFVILHGTDTMAFTASALSFML
ENLAKPVIITGSQIPLAEDASDGQTNLLNALYLAANHPVNEVSLFFNNQL
FRGNRTTKAFASPNLSVLLNGPLIVHRITPQPIGVVTIYPGISGAVVRNF
LLQPVKALILRSYGVGNAPQKAELLDELKNASDRGIVVVNLTQSISGSVN
MNALAQAGVISGFDMTVEAALTKLHYLLSQSLSPNEIRQLMQQNLRGELT
D
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 chain7r6b Chain B Residue 408 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7r6b The dimeric form of bacterial l-asparaginase YpAI is fully active.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		H52 Y54 H70
Binding residue
(residue number reindexed from 1)		H47 Y49 H65
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.1: asparaginase.
Gene Ontology
Molecular Function
GO:0004067 asparaginase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006520 amino acid metabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7r6b, PDBe:7r6b, PDBj:7r6b
PDBsum7r6b
PubMed36152020
UniProtA0A3N4B0Q2

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