Structure of PDB 2ml3 Chain A Binding Site BS06

Receptor Information
>2ml3 Chain A (length=181) Species: 354 (Azotobacter vinelandii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADPGVEGTPVVGSDLDDELHGTLGSEQILGGGGADQLYGYAGNDLLDGGA
GRDKLSGGEGADTFRFALREDSHRSPLGTFGDRILDFDPSQDRIDVSALG
FSGLGNGYAGSLAVSVSDDGTRTYLKSYEADAQGLSFEVALEGDHAAALS
ADNIVFAATDAAAAGELGVIGASGQPDDPTV
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 chain2ml3 Chain A Residue 206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ml3 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)		G58 G60 D62 D92
Binding residue
(residue number reindexed from 1)		G58 G60 D62 D92
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:2ml3, PDBe:2ml3, PDBj:2ml3
PDBsum2ml3
PubMed25266718
UniProtQ9ZFH0|ALGE6_AZOVI Mannuronan C5-epimerase AlgE6 (Gene Name=algE6)

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