Structure of PDB 8ib4 Chain G Binding Site BS02

Receptor Information

>8ib4 Chain G (length=687) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SNLIEVFVDGQSVMVEPGTTVLQACEKVGMQIPRFCYHERLSVAGNCRMC
LVEIEKAPKVVAACAMPVMKGWNILTNSEKSKKAREGVMEFLLANHPLDC
PICDQGGECDLQDQSMMFGSDRSRFLEGKRAVEDKNIGPLVKTIMTRCIQ
CTRCIRFASEIAGVDDLGTTGRGNDMQVGTYIEKMFMSELSGNVIDICPV
GALTSKPYAFTARPWETRKTESIDVMDAVGSNIVVSTRTGEVMRILPRMH
EDINEEWISDKTRFAYDGLKRQRLTEPMVRNEKGLLTYTSWEDALSRVAG
MLQNFEGNAVAAIAGGLVDAEALVALKDLLNKVDSDNLCTEEIFPTEGAG
TDLRSNYLLNTTIAGVEEADVVLLVGTNPRFEAPLFNARIRKSWLHNDLK
VALIGSPVDLTYRYDHLGDSPKILQDIASGRHSFCEVLKDAKKPMVVLGS
SALQRDDGAAILVAVSNMVQKIRVTTGVAAEWKVMNILHRIASQVAALDL
GYKPGVEAIRKNPPKMLFLLGADGGCITRQDLPKDCFIVYQGHHGDVGAP
MADVILPGAAYTEKSATYVNTEGRAQQTKVAVTPPGLAREDWKIIRALSE
IAGITLPYDTLDQVRNRLEEVSPNLVRYDDIEETNYFQQASELAKLVNQE
VLADPLVPPQLTIKDFYMTDSISRASQTMAKCVKAVT

Ligand information

InChI=1S/4Fe.4S

LJBDFODJNLIPKO-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385	S1[Fe]S[Fe]1.S2[Fe]S[Fe]2

Formula

Fe4 S4

Name

IRON/SULFUR CLUSTER

ChEMBL

DrugBank

ZINC

PDB chain

8ib4 Chain G Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8ib4 Respiratory complex CI:CIII2, type IA, Wild type mouse under cold temperature
Resolution	4.3 Å
Binding residue (original residue number in PDB)	C176 I177 C179 T180 C182 C226
Binding residue (residue number reindexed from 1)	C148 I149 C151 T152 C154 C198
Annotation score	1

External links

PDB	RCSB:8ib4, PDBe:8ib4, PDBj:8ib4
PDBsum	8ib4
PubMed
UniProt	Q91VD9\|NDUS1_MOUSE NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial (Gene Name=Ndufs1)

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