Structure of PDB 7p0o Chain A Binding Site BS01

Receptor Information
>7p0o Chain A (length=66) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAMINLHIQKDNPKIVHAFDMEDLGDKAVYCRCWRSKKFPFCDGAHTKHN
EETGDNVGPLIIKKKE
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 chain7p0o Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p0o An anti-diabetic drug targets NEET (CISD) proteins through destabilization of their [2Fe-2S] clusters.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		C72 R73 C74 C83 D84 A86 H87 P100
Binding residue
(residue number reindexed from 1)		C31 R32 C33 C42 D43 A45 H46 P59
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:7p0o, PDBe:7p0o, PDBj:7p0o
PDBsum7p0o
PubMed35538231
UniProtQ9NZ45|CISD1_HUMAN CDGSH iron-sulfur domain-containing protein 1 (Gene Name=CISD1)

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