Structure of PDB 6ij2 Chain C Binding Site BS02

Receptor Information
>6ij2 Chain C (length=236) Species: 345073 (Vibrio cholerae O395) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDFDFTMAFQPIVNCRTKEIFGYEALVRGLNNESAYSVISRVNEDNRYLF
DQMCRVKAIALAAKLGLTSKLSINFLPNAIYVPERCIRTTLEAAKRYQFP
IENIMFEFTEAERVEDVNHIKRIVEYYKSLGFQTAIDDFGSGYSGLNLLA
DFQTNIVKVDMGLIRNIHADQVRQSIMKNCLKLFSDLNIQPLAEGVESHA
EFAWLKAAGVELMQGYYFAKPGFESLPSVNPEFSEA
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 chain6ij2 Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ij2 Structures of c-di-GMP/cGAMP degrading phosphodiesterase VcEAL: identification of a novel conformational switch and its implication.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E45 N95 E128 D158
Binding residue
(residue number reindexed from 1)		E24 N74 E107 D137
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6ij2, PDBe:6ij2, PDBj:6ij2
PDBsum6ij2
PubMed31647518
UniProtA0A0H3AJ04

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