Structure of PDB 1o2d Chain B Binding Site BS01

Receptor Information
>1o2d Chain B (length=360) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHVWEFYMPTDVFFGEKILEKRGNIIDLLGKRALVVTGKSSSKKNGSLDD
LKKLLDETEISYEIFDEVEENPSFDNVMKAVERYRNDSFDFVVGLGGGSP
MDFAKAVAVLLKEKDLSVEDLYDREKVKHWLPVVEIPTTAGTGSEVTPYS
ILTDPEGNKRGCTLMFPVYAFLDPRYTYSMSDELTLSTGVDALSHAVEGY
LSRKSTPPSDALAIEAMKIIHRNLPKAIEGNREARKKMFVASCLAGMVIA
QTGTTLAHALGYPLTTEKGIKHGKATGMVLPFVMEVMKEEIPEKVDTVNH
IFGGSLLKFLKELGLYEKVAVSSEELEKWVEKGSRAKHLKNTPGTFTPEK
IRNIYREALG
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain1o2d Chain B Residue 900 [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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PDB1o2d Crystal structure of an iron-containing 1,3-propanediol dehydrogenase (TM0920) from Thermotoga maritima at 1.3 A resolution
Resolution1.3 Å
Binding residue
(original residue number in PDB)		D189 H193 H256 H270
Binding residue
(residue number reindexed from 1)		D191 H195 H258 H272
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.1: alcohol dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1o2d, PDBe:1o2d, PDBj:1o2d
PDBsum1o2d
PubMed14705036
UniProtQ9X022

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