Structure of PDB 8qby Chain I Binding Site BS02

Receptor Information
>8qby Chain I (length=159) Species: 318586 (Paracoccus denitrificans PD1222) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FARATKYFLMWDFIKGFGLGMRYFVSPKPTLNYPHEKGPLSPRFRGEHAL
RRYPNGEERCIACKLCEAVCPAQAITIDAEPREDGSRRTTRYDIDMTKCI
YCGFCQEACPVDAIVEGPNFEYATETREELFYDKQKLLANGERWEAEIAR
NLQLDAPYR
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 I Residue 202 [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)		C64 I65 A66 C67 K68 L69 C70 Y96 C113 A117 I118
Binding residue
(residue number reindexed from 1)		C60 I61 A62 C63 K64 L65 C66 Y92 C109 A113 I114
Annotation score1
External links
PDB RCSB:8qby, PDBe:8qby, PDBj:8qby
PDBsum8qby
PubMed
UniProtA1B486|NUOI_PARDP NADH-quinone oxidoreductase subunit I (Gene Name=nuoI)

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