Structure of PDB 2d0p Chain A Binding Site BS01

Receptor Information
>2d0p Chain A (length=606) Species: 571 (Klebsiella oxytoca) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRYIAGIDIGNSSTEVALATLDEAGALTITHSALAETTGIKGTLRNVFGI
QEALALVARGAGIAVSDISLIRINEATPVIGDVAMETITETIITESTMIG
HNPKTPGGAGLGTGITITPQELLTRPADAPYILVVSSAFDFADIASVINA
SLRAGYQITGVILQRDDGVLVSNRLEKPLPIVDEVLYIDRIPLGMLAAIE
VAVPGKVIETLSNPYGIATVFNLSPEETKNIVPMARALIGNRSAVVVKTP
SGDVKARAIPAGNLELLAQGRSVRVDVAAGAEAIMKAVDGCGRLDNVTGE
SGTNIGGMLEHVRQTMAELTNKPSSEIFIQDLLAVDTSVPVSVTGGLAGE
FSLEQAVGIASMVKSDRLQMAMIAREIEQKLNIDVQIGGAEAEAAILGAL
TTPGTTRPLAILDLGAGSTDASIINPKGDIIATHLAGAGDMVTMIIAREL
GLEDRYLAEEIKKYPLAKVESLFHLRHEDGSVQFFSTPLPPAVFARVCVV
KADELVPLPGDLALEKVRAIRRSAKERVFVTNALRALRQVSPTGNIRDIP
FVVLVGGSSLDFEVPQLVTDALAHYRLVAGRGNIRGSEGPRNAVATGLIL
SWHKEF
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 chain2d0p Chain A Residue 1005 [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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PDB2d0p Release of a damaged cofactor from a coenzyme B12-dependent enzyme: X-ray structures of diol dehydratase-reactivating factor
Resolution3.0 Å
Binding residue
(original residue number in PDB)		T105 D166 D183
Binding residue
(residue number reindexed from 1)		T105 D166 D183
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2d0p, PDBe:2d0p, PDBj:2d0p
PDBsum2d0p
PubMed16338403
UniProtO68195|DDRA_KLEM8 Diol dehydratase-reactivating factor large subunit (Gene Name=ddrA)

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