Structure of PDB 4f1e Chain O Binding Site BS01

Receptor Information
>4f1e Chain O (length=62) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLHIQKDNPKIVHAFDMEDLGGKAVYCRCWRSKKFPFCDGAHTKHNEETG
DNVGPLIIKKKE
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 chain4f1e Chain O Residue 201 [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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PDB4f1e Allosteric control in a metalloprotein dramatically alters function.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		C72 R73 C74 C83 D84 G85 A86 H87 P100
Binding residue
(residue number reindexed from 1)		C27 R28 C29 C38 D39 G40 A41 H42 P55
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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Biological Process
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Cellular Component
External links
PDB RCSB:4f1e, PDBe:4f1e, PDBj:4f1e
PDBsum4f1e
PubMed23271805
UniProtQ9NZ45|CISD1_HUMAN CDGSH iron-sulfur domain-containing protein 1 (Gene Name=CISD1)

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