Structure of PDB 8qby Chain I Binding Site BS01

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 201 [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)		H52 C74 P75 I79 C103 I104 Y105 C106 G107 C109
Binding residue
(residue number reindexed from 1)		H48 C70 P71 I75 C99 I100 Y101 C102 G103 C105
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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