Structure of PDB 6c76 Chain A Binding Site BS01

Receptor Information
>6c76 Chain A (length=378) Species: 277988 (Thermococcus thioreducens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFWLKTRIIEGEGSLSRLSREVKGHERVLILASGSMKRHGFLSEAEDYVK
EAGAEVFSIAGLPAEPSVEVIEEFLPKVREFGPDLLVAMGGGSVIDTTKA
LKVFYDAPELNFGEIAFIDRFSKPKPVPRLKTLLIAIPSTSGAGSEVSGA
SVLKKGGVKYNIVTPEIAPDVAILDPRLPRTMPPEVARNSGLDVLVHGIE
AYTTKVASPFSDAMAIKAIKTVYRWLPLSVKGDEEARARVHYAATMAGIA
FLNARLGLCHAMSHKAAWIGPHGLLNAVFLPYVMEFNASKSDYARRRYAE
IARELGFQTAKDLIEVVKELNEMLGVPKLGELVDEETFASKVEEMAEKTY
HDGLIAFNPVEPKPEEIKELYLKAYRGE
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 chain6c76 Chain A Residue 401 [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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PDB6c76 The structure of an iron-containing alcohol dehydrogenase from a hyperthermophilic archaeon in two chemical states.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D193 H197 H260 H272
Binding residue
(residue number reindexed from 1)		D193 H197 H260 H272
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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:6c76, PDBe:6c76, PDBj:6c76
PDBsum6c76
PubMed30950821
UniProtA0A0Q2QQL1

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