Structure of PDB 3ree Chain A Binding Site BS01

Receptor Information
>3ree Chain A (length=74) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRFYVKDHRNKAMINLHIQKDNPKIVHAFDMEDLGDKAVYCRCWRSKKFP
FCDGAHTKHNEETGDNVGPLIIKK
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 chain3ree Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ree Complexes of the Outer Mitochondrial Membrane Protein MitoNEET with Resveratrol-3-Sulfate.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		C72 R73 C74 C83 D84 G85 A86 H87 P100
Binding residue
(residue number reindexed from 1)		C41 R42 C43 C52 D53 G54 A55 H56 P69
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.3: cysteine transaminase.
Gene Ontology
Molecular Function
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0010506 regulation of autophagy
Cellular Component
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Cellular Component
External links
PDB RCSB:3ree, PDBe:3ree, PDBj:3ree
PDBsum3ree
PubMed21591687
UniProtQ9NZ45|CISD1_HUMAN CDGSH iron-sulfur domain-containing protein 1 (Gene Name=CISD1)

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