Structure of PDB 3s5f Chain A Binding Site BS01

Receptor Information
>3s5f Chain A (length=120) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLDETTYERLAEETLDSLAEFFEDLADKPYTFEDYDVSFGSGVLTVKLGG
DLGTYVINKQTPNKQIFLSSPSSGPKRYDWTGKNWVYSHDGVSLHELLAA
ELTKALKTKLDLSSLAYSGK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3s5f Chain A Residue 1034 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3s5f Friedreich's Ataxia Variants I154F and W155R Diminish Frataxin-Based Activation of the Iron-Sulfur Cluster Assembly Complex.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		A114 K116 T119
Binding residue
(residue number reindexed from 1)		A26 K28 T31
Annotation score1
Enzymatic activity
Enzyme Commision number 1.16.3.1: ferroxidase.
Gene Ontology
Molecular Function
GO:0004322 ferroxidase activity
GO:0008199 ferric iron binding
Biological Process
GO:0006879 intracellular iron ion homeostasis
GO:0016226 iron-sulfur cluster assembly
GO:0018283 iron incorporation into metallo-sulfur cluster
Cellular Component
GO:0005739 mitochondrion

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Cellular Component
External links
PDB RCSB:3s5f, PDBe:3s5f, PDBj:3s5f
PDBsum3s5f
PubMed21671584
UniProtQ16595|FRDA_HUMAN Frataxin, mitochondrial (Gene Name=FXN)

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