Structure of PDB 7bbv Chain B Binding Site BS01

Receptor Information
>7bbv Chain B (length=298) Species: 498257 (Verticillium dahliae VdLs.17) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASVTESCNIGYASTNGGTTGGKGGATTTVSTLAQFTKAAESSGKLNIVVK
GKISGGAKVRVQSDKTIIGQKGSELVGTGLYINKVKNVIVRNMKISKVKD
SNGDAIGIQASKNVWVDHCDLSSDLKSGKDYYDGLLDITHGSDWVTVSNT
FLHDHFKASLIGHTDSNAKEDKGKLHVTYANNYWYNVNSRNPSVRFGTVH
IYNNYYLEVGSSAVNTRMGAQVRVESTVFDKSTKNGIISVDSKEKGYATV
GDISWGSSTNTAPKGTLGSSNIPYSYNLYGKNNVKARVYGTAGQTLGF
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 chain7bbv Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bbv The specificity of pectate lyase VdPelB from Verticilium dahliae is highlighted by structural, dynamical and biochemical characterizations.
Resolution1.2 Å
Binding residue
(original residue number in PDB)		D122 D151 D155
Binding residue
(residue number reindexed from 1)		D104 D133 D137
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0030570 pectate lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0000272 polysaccharide catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7bbv, PDBe:7bbv, PDBj:7bbv
PDBsum7bbv
PubMed36639075
UniProtG2X3Y1

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