Structure of PDB 2pyh Chain B Binding Site BS04

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 402 [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)		R111 T114
Binding residue
(residue number reindexed from 1)		R111 T114
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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