Structure of PDB 2ml1 Chain A Binding Site BS03

Receptor Information
>2ml1 Chain A (length=153) Species: 354 (Azotobacter vinelandii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQGTDGNDVLIGSDVGEQISGGAGDDRLDGGAGDDLLDGGAGRDRLTGGL
GADTFRFALREDSHRSPLGTFSDLILDFDPSQDKIDVSALGFIGLGNGYA
GTLAVSLSADGLRTYLKSYDADAQGRSFELALDGNHAATLSAGNIVFAAA
TPG
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 chain2ml1 Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ml1 Structural and Functional Characterization of the R-modules in Alginate C-5 Epimerases AlgE4 and AlgE6 from Azotobacter vinelandii
ResolutionN/A
Binding residue
(original residue number in PDB)		G22 A23 G24 D26 G39 G40 A41 D44
Binding residue
(residue number reindexed from 1)		G22 A23 G24 D26 G39 G40 A41 D44
Annotation score1
Enzymatic activity
Enzyme Commision number 5.1.3.37: mannuronan 5-epimerase.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Cellular Component
GO:0005615 extracellular space

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Molecular Function
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Cellular Component
External links
PDB RCSB:2ml1, PDBe:2ml1, PDBj:2ml1
PDBsum2ml1
PubMed25266718
UniProtQ9ZFH0|ALGE6_AZOVI Mannuronan C5-epimerase AlgE6 (Gene Name=algE6)

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