Structure of PDB 8iap Chain F Binding Site BS03
Receptor Information
>8iap Chain F (length=426) Species:
10090
(Mus musculus) [
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FGSLKDEDRIFTNLYGRHDWRLKGALRRGDWYKTKEILLKGPDWILGEMK
TSGLRGRGGAGFPTGLKWSFMNKPSDGRPKYLVVNADEGEPGTCKDREIM
RHDPHKLVEGCLVGGRAMGARAAYIYIRGEFYNEASNLQVAIREAYEAGL
IGKNACGSDYDFDVFVVRGAGAYICGEETALIESIEGKQGKPRLKPPFPA
DVGVFGCPTTVANVETVAVSPTICRRGGTWFAGFGRERNSGTKLFNISGH
VNHPCTVEEEMSVPLKELIEKHAGGVTGGWDNLLAVIPGGSSTPLIPKSV
CETVLMDFDALVQAQTGLGTAAVIVMDRSTDIVKAIARLIEFYKHESCGQ
CTPCREGVDWMNKVMARFVKGDARPAEIDSLWEISKQIEGHTICALGDGA
AWPVQGLIRHFRPELEDRMQRFAQQH
Ligand information
Ligand ID
SF4
InChI
InChI=1S/4Fe.4S
InChIKey
LJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.7
[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385
S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
Formula
Fe4 S4
Name
IRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain
8iap Chain F Residue 502 [
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Receptor-Ligand Complex Structure
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PDB
8iap
Respiratory complex Peripheral Arm of CI, focus-refined map of type I, Wild type mouse under thermoneutral temperature
Resolution
3.2 Å
Binding residue
(original residue number in PDB)
I205 P223 S378 C379 G380 Q381 C382 C385 C425 L427
Binding residue
(residue number reindexed from 1)
I174 P192 S347 C348 G349 Q350 C351 C354 C394 L396
Annotation score
1
External links
PDB
RCSB:8iap
,
PDBe:8iap
,
PDBj:8iap
PDBsum
8iap
PubMed
UniProt
Q91YT0
|NDUV1_MOUSE NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Gene Name=Ndufv1)
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