Structure of PDB 8qby Chain B Binding Site BS01

Receptor Information
>8qby Chain B (length=148) Species: 318586 (Paracoccus denitrificans PD1222) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FLLTTTEDIINWARNGSLHWMTFGLACCAVEMMQTSMPRYDLERFGTAPR
ASPRQSDLMIVAGTLTNKMAPALRKVYDQMPEPRYVISMGSCANGGGYYH
YSYSVVRGCDRIVPVDIYVPGCPPTAEALLYGILQLQRRIRRTGTLVR
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 B Residue 402 [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)		C54 C55 G117 S118 C119 C149 P150
Binding residue
(residue number reindexed from 1)		C27 C28 G90 S91 C92 C122 P123
Annotation score1
External links
PDB RCSB:8qby, PDBe:8qby, PDBj:8qby
PDBsum8qby
PubMed
UniProtA1B497|NUOB_PARDP NADH-quinone oxidoreductase subunit B (Gene Name=nuoB)

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