Structure of PDB 2pyg Chain A Binding Site BS01

Receptor Information
>2pyg Chain A (length=374) Species: 354 (Azotobacter vinelandii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYNVKDFGALGDGVSDDRASIQAAIDAAYAAGGGTVYLPAGEYRVSAAGE
PGDGCLMLKDGVYLAGAGMGETVIKLIDGSDQKITGMVRSAYGEETSNFG
MRDLTLDGNRDNTSGKVDGWFNGYIPGGDGADRDVTIERVEVREMSGYGF
DPHEQTINLTIRDSVAHDNGLDGFVADYLVDSVFENNVAYANDRHGFNVV
TSTHDFVMTNNVAYGNGSSGLVVQRGLEDLALPSNILIDGGAYYDNAREG
VLLKMTSDITLQNADIHGNGSSGVRVYGAQDVQILDNQIHDNAQAAAVPE
VLLQSFDDTAGASGTYYTTLNTRIEGNTISGSANSTYGIQERNDGTDYSS
LIDNDIAGVQQPIQLYGPHSTVSG
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 chain2pyg Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2pyg Structural and Mutational Characterization of the Catalytic A-module of the Mannuronan C-5-epimerase AlgE4 from Azotobacter vinelandii.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S91 A92 E95 T97 G124 D133
Binding residue
(residue number reindexed from 1)		S90 A91 E94 T96 G123 D132
Annotation score1
Enzymatic activity
Enzyme Commision number 5.1.3.37: mannuronan 5-epimerase.
External links
PDB RCSB:2pyg, PDBe:2pyg, PDBj:2pyg
PDBsum2pyg
PubMed18574239
UniProtQ44493|ALGE4_AZOVI Mannuronan C5-epimerase AlgE4 (Gene Name=algE4)

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