Structure of PDB 1aor Chain A Binding Site BS02

Receptor Information
>1aor Chain A (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 IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain1aor Chain A Residue 608 [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)		R76 C288 C291 I293 C295 C494 F496
Binding residue
(residue number reindexed from 1)		R76 C288 C291 I293 C295 C494 F496
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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