Structure of PDB 1aor Chain B Binding Site BS01

Receptor Information
>1aor Chain B (length=605) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYGNWGRFIRVNLSTGDIKVEEYDEELAKKWLGSRGLAIYLLLKEMDPTV
DPLSPENKLIIAAGPLTGTSAPTGGRYNVVTKSPLTGFITMANSGGYFGA
ELKFAGYDAIVVEGKAEKPVYIYIKDEHIEIRDASHIWGKKVSETEATIR
KEVGSEKVKIASIGPAGENLVKFAAIMNDGHRAAGRGGVGAVMGSKNLKA
IAVEGSKTVPIADKQKFMLVVREKVNKLRNDPVAGGGLPKYGTAVLVNII
NENGLYPVKNFQTGVYPYAYEQSGEAMAAKYLVRNKPCYACPIGCGRVNR
LPTVGETEGPEYESVWALGANLGINDLASIIEANHMCDELGLDTISTGGT
LATAMELYEKGHIKDEELGDAPPFRWGNTEVLHYYIEKIAKREGFGDKLA
EGSYRLAESYGHPELSMTVKKLELPAYDPRGAEGHGLGYATNNRGGCHIK
NYMISPEILGYPYKMDPHDVSDDKIKMLILFQDLTALIDSAGLCLFTTFG
LGADDYRDLLNAALGWDFTTEDYLKIGERIWNAERLFNLKAGLDPARDDT
LPKRFLEEPMPEGPNKGHTVRLKEMLPRYYKLRGWTEDGKIPKEKLEELG
IAEFY
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 chain1aor Chain A Residue 606 [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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PDB1aor Structure of a hyperthermophilic tungstopterin enzyme, aldehyde ferredoxin oxidoreductase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		E332 H383
Binding residue
(residue number reindexed from 1)		E332 H383
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.7.5: aldehyde ferredoxin oxidoreductase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0016625 oxidoreductase activity, acting on the aldehyde or oxo group of donors, iron-sulfur protein as acceptor
GO:0033726 aldehyde ferredoxin oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:1aor, PDBe:1aor, PDBj:1aor
PDBsum1aor
PubMed7878465
UniProtQ51739|AOR_PYRFU Tungsten-containing aldehyde ferredoxin oxidoreductase (Gene Name=aor)

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