Structure of PDB 8qby Chain F Binding Site BS02

Receptor Information
>8qby Chain F (length=421) Species: 318586 (Paracoccus denitrificans PD1222) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLNDQDRIFTNLYGMGDRSLAGAKKRGHWDGTAAIIQRGRDKIIDEMKAS
GLRGRGGAGFPTGMKWSFMPKESDGRPSYLVINADESEPATCKDREIMRH
DPHTLIEGALIASFAMGAHAAYIYIRGEFIREREALQAAIDECYDAGLLG
RNAAGSGWDFDLYLHHGAGAYICGEETALLESLEGKKGMPRMKPPFPAGA
GLYGCPTTVNNVESIAVVPTILRRGAEWFASFGRPNNAGVKLFGLTGHVN
TPCVVEEAMSIPMRELIEKHGGGIRGGWKNLKAVIPGGASCPVLTAEQCE
NAIMDYDGMRELRSSFGTACMIVMDQSTDVVKAIWRLSKFFKHESCGQCT
PCREGTGWMMRVMERLVRGDAEVEEIDMLFDVTKQVEGHTICALGDAAAW
PIQGLIRNFREEIEDRIKAKR
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 chain8qby Chain F Residue 502 [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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PDB8qby Respiratory complex I from Paracoccus denitrificans
Resolution2.3 Å
Binding residue
(original residue number in PDB)		I172 P190 C346 G347 Q348 C349 C352 T390 C392 L394 G395
Binding residue
(residue number reindexed from 1)		I172 P190 C346 G347 Q348 C349 C352 T390 C392 L394 G395
Annotation score1
External links