Structure of PDB 5xtb Chain O Binding Site BS01

Receptor Information
>5xtb Chain O (length=212) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GALFVHRDTPENNPDTPFDFTPENYKRIEAIVKNYPEGHKAAAVLPVLDL
AQRQNGWLPISAMNKVAEVLQVPPMRVYEVATFYTMYNRKPVGKYHIQVC
TTTPCMLRNSDSILEAIQKKLGIKVGETTPDKLFTLIEVECLGACVNAPM
VQINDNYYEDLTAKDIEEIIDELKAGKIPKPGPRSGRFSCEPAGGLTSLT
EPPKGPGFGVQA
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain5xtb Chain O Residue 301 [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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PDB5xtb Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		C135 T137 P139 C176 L177 G178 A179 C180
Binding residue
(residue number reindexed from 1)		C100 T102 P104 C141 L142 G143 A144 C145
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:5xtb, PDBe:5xtb, PDBj:5xtb
PDBsum5xtb
PubMed28844695
UniProtP19404|NDUV2_HUMAN NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial (Gene Name=NDUFV2)

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