Structure of PDB 2ehd Chain A Binding Site BS01

Receptor Information
>2ehd Chain A (length=207) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKGAVLITGASRGIGEATARLLHAKGYRVGLMARDEKRLQALAAELEGAL
PLPGDVREEGDWARAVAAMEEAFGELSALVNNAGVGVMKPVHELTLEEWR
LVLDTNLTGAFLGIRHAVPALLRRGGGTIVNVGSLAGKNPFKGGAAYNAS
KFGLLGLAGAAMLDLREANVRVVNVLPGLKPEDVAQAVLFALEMPGHAMV
SEIELRP
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain2ehd Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ehd Crystal structure analysis of putative oxidoreductase from Thermus thermophilus HB8
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G12 S14
Binding residue
(residue number reindexed from 1)		G9 S11
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) G136 Y150 K154
Catalytic site (residue number reindexed from 1) G133 Y147 K151
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:2ehd, PDBe:2ehd, PDBj:2ehd
PDBsum2ehd
PubMed
UniProtQ5SK86

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