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BioLiP

Structure of PDB 8ic3 Chain D Binding Site BS01

Receptor Information
>8ic3 Chain D (length=385) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NMTLNFGPQHPAAHGVLRLVLELSGEMVRKCDPHIGLLHRGTEKLIEYKT
YLQALPYFDRLDYVSMMCNEQAYSIAVEKLLNIQPPPRAQWIRVLFGEIT
RILNHIMAVTTHALDIGAMTPFFWMFEEREKMFEFYERVSGARMHAAYIR
PGGVHQDLPLGLLDDIYEFSKNFSLRIDEVEEMLTNNRIWRNRTVDIGVV
TAEDALNYGFSGVMLRGSGIQWDLRKTQPYDVYDQVEFDVPIGSRGDCYD
RYLCRVEEMRQSLRIIEQCLNKMPPGEIKVDDAKVSPPKRAEMKTSMESL
IHHFKLYTEGYQVPPGATYTAIEAPKGEFGVYLVSDGSSRPYRCKIKAPG
FAHLAGLDKMSKGHMLADVVAIIGTQDIVFGEIDR
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 chain8ic3 Chain B 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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PDB8ic3 Respiratory complex Peripheral Arm of CI, focus-refined map of type I, PERK -/- mouse under cold temperature
Resolution3.2 Å
Binding residue
(original residue number in PDB)		R138 H223
Binding residue
(residue number reindexed from 1)		R60 H145
Annotation score1
External links
PDB RCSB:8ic3, PDBe:8ic3, PDBj:8ic3
PDBsum8ic3
PubMed
UniProtQ91WD5|NDUS2_MOUSE NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial (Gene Name=Ndufs2)

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