Structure of PDB 5j8k Chain I Binding Site BS02
Receptor Information
>5j8k Chain I (length=171) Species:
9940
(Ovis aries) [
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AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAACAACAACAAACAAAAAAAAAAAAAAAAAA
AAAAAAAAAACAACAACAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAA
Ligand information
Ligand ID
SF4
InChI
InChI=1S/4Fe.4S
InChIKey
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
5j8k Chain I Residue 202 [
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Receptor-Ligand Complex Structure
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PDB
5j8k
The architecture of respiratory supercomplexes.
Resolution
7.8 Å
Binding residue
(original residue number in PDB)
C77 X79 C80 X81 X82 C83 C126 X127 X128 X129
Binding residue
(residue number reindexed from 1)
C72 X74 C75 X76 X77 C78 C121 X122 X123 X124
Annotation score
4
External links
PDB
RCSB:5j8k
,
PDBe:5j8k
,
PDBj:5j8k
PDBsum
5j8k
PubMed
27654913
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