Structure of PDB 6de9 Chain A Binding Site BS01

Receptor Information
>6de9 Chain A (length=75) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKRFYVKDHRNKAMINLHIQKDNPKIVHAFDMEDLGDKAVYCRCWRSKKF
PFCDGAHTKHNEETGDNVGPLIIKK
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 chain6de9 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6de9 Crystal structure of the mitochondrial protein mitoNEET bound to a benze-sulfonide ligand.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		C72 R73 C74 C83 D84 G85 A86 H87 P100
Binding residue
(residue number reindexed from 1)		C42 R43 C44 C53 D54 G55 A56 H57 P70
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:6de9, PDBe:6de9, PDBj:6de9
PDBsum6de9
PubMed32382661
UniProtQ9NZ45|CISD1_HUMAN CDGSH iron-sulfur domain-containing protein 1 (Gene Name=CISD1)

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