Structure of PDB 2r13 Chain A Binding Site BS01

Receptor Information
>2r13 Chain A (length=76) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNARFYVKDHRNKAMINLHIQKDNPKIVHAFDMEDLGDKAVYCRCWRSKK
FPFCDGAHTKHNEETGDNVGPLIIKK
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 chain2r13 Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2r13 Crystallographic studies of human MitoNEET
Resolution1.8 Å
Binding residue
(original residue number in PDB)		C72 R73 C74 C83 D84 G85 A86 H87 P100
Binding residue
(residue number reindexed from 1)		C43 R44 C45 C54 D55 G56 A57 H58 P71
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2r13, PDBe:2r13, PDBj:2r13
PDBsum2r13
PubMed17905743
UniProtQ9NZ45|CISD1_HUMAN CDGSH iron-sulfur domain-containing protein 1 (Gene Name=CISD1)

[Back to BioLiP]