Structure of PDB 6ifq Chain B Binding Site BS01

Receptor Information
>6ifq Chain B (length=237) Species: 345073 (Vibrio cholerae O395) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLDFDFTMAFQPIVNCRTKEIFGYEALVRGLNNESAYSVISRVNEDNRYL
FDQMCRVKAIALAAKLGLTSKLSINFLPNAIYVPERCIRTTLEAAKRYQF
PIENIMFEFTEAERVEDVNHIKRIVEYYKSLGFQTAIDDFGSGYSGLNLL
ADFQTNIVKVDMGLIRNIHADQVRQSIMKNCLKLFSDLNIQPLAEGVESH
AEFAWLKAAGVELMQGYYFAKPGFESLPSVNPEFSEA
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 chain6ifq Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ifq Structures of c-di-GMP/cGAMP degrading phosphodiesterase VcEAL: identification of a novel conformational switch and its implication.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E45 N95 E128 D158
Binding residue
(residue number reindexed from 1)		E25 N75 E108 D138
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.52: cyclic-guanylate-specific phosphodiesterase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6ifq, PDBe:6ifq, PDBj:6ifq
PDBsum6ifq
PubMed31647518
UniProtA0A0H3AJ04

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