Structure of PDB 2pyh Chain B Binding Site BS03

Receptor Information
>2pyh Chain B (length=377) Species: 354 (Azotobacter vinelandii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDYNVKDFGALGDGVSDDRASIQAAIDAAYAAGGGTVYLPAGEYRVSAAG
EPGDGCLMLKDGVYLAGAGMGETVIKLIDGSDQKITGMVRSAYGEETSNF
GMRDLTLDGNRDNTSGKVDGWFNGYIPGGDGADRDVTIERVEVREMSGYG
FDPHEQTINLTIRDSVAHDNGLDGFVADYLVDSVFENNVAYANDRHGFNV
VTSTHDFVMTNNVAYGNGSSGLVVQRGLEDLALPSNILIDGGAYYDNARE
GVLLKMTSDITLQNADIHGNGSSGVRVYGAQDVQILDNQIHDNAQAAAVP
EVLLQSFDDTAGASGTYYTTLNTRIEGNTISGSANSTYGIQERNDGTDYS
SLIDNDIAGVQQPIQLYGPHSTVSGEP
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 chain2pyh Chain B Residue 401 [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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PDB2pyh Structural and Mutational Characterization of the Catalytic A-module of the Mannuronan C-5-epimerase AlgE4 from Azotobacter vinelandii.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		S91 A92 E95 T97 G124 Y125 D133
Binding residue
(residue number reindexed from 1)		S91 A92 E95 T97 G124 Y125 D133
Annotation score1
Enzymatic activity
Enzyme Commision number 5.1.3.37: mannuronan 5-epimerase.
External links
PDB RCSB:2pyh, PDBe:2pyh, PDBj:2pyh
PDBsum2pyh
PubMed18574239
UniProtQ44493|ALGE4_AZOVI Mannuronan C5-epimerase AlgE4 (Gene Name=algE4)

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