Structure of PDB 3ox4 Chain C Binding Site BS02

Receptor Information
>3ox4 Chain C (length=382) Species: 542 (Zymomonas mobilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASSTFYIPFVNEMGEGSLEKAIKDLNGSGFKNALIVSDAFMNKSGVVKQV
ADLLKAQGINSAVYDGVMPNPTVTAVLEGLKILKDNNSDFVISLGGGSPH
DCAKAIALVATNGGEVKDYEGIDKSKKPALPLMSINTTAGTASEMTRFCI
ITDEVRHVKMAIVDRHVTPMVSVNDPLLMVGMPKGLTAATGMDALTHAFE
AYSSTAATPITDACALKAASMIAKNLKTACDNGKDMPAREAMAYAQFLAG
MAFNNASLGYVHAMAHQLGGYYNLPHGVCNAVLLPHVLAYNASVVAGRLK
DVGVAMGLDIANLGDKEGAEATIQAVRDLAASIGIPANLTELGAKKEDVP
LLADHALKDACALTNPRQGDQKEVEELFLSAF
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain3ox4 Chain C Residue 501 [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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PDB3ox4 Structures of iron-dependent alcohol dehydrogenase 2 from Zymomonas mobilis ZM4 with and without NAD+ cofactor
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D194 H198 H263 H277
Binding residue
(residue number reindexed from 1)		D193 H197 H262 H276
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.1: alcohol dehydrogenase.
Gene Ontology
Molecular Function
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3ox4, PDBe:3ox4, PDBj:3ox4
PDBsum3ox4
PubMed21295587
UniProtP0DJA2|ADH2_ZYMMO Alcohol dehydrogenase 2 (Gene Name=adhB)

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