Structure of PDB 3n5n Chain Y Binding Site BS01

Receptor Information
>3n5n Chain Y (length=272) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSYHLFRDVAEVTAFRGSLLSWYDQEKRDLPWRRRAEDEMDLDRRAYAVW
VSEVMLQQTQVATVINYYTGWMQKWPTLQDLASASLEEVNQLWAGLGYYS
RGRRLQEGARKVVEELGGHMPRTAETLQQLLPGVGRYTAGAIASIAFGQA
TGVVDGNVARVLCRVRAIGADPSSTLVSQQLWGLAQQLVDPARPGDFNQA
AMELGATVCTPQRPLCSQCPVESLCRARQRVEQEQLLASGSLSVEECAPN
TGQCHLCLPPSEPWDQTLGVVN
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain3n5n Chain Y Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3n5n A structural hinge in eukaryotic MutY homologues mediates catalytic activity and Rad9-Rad1-Hus1 checkpoint complex interactions.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R231 C276 C283 C286 C292 R295
Binding residue
(residue number reindexed from 1)		R164 C209 C216 C219 C225 R228
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y204 D222
Catalytic site (residue number reindexed from 1) Y137 D155
Enzyme Commision number 3.2.2.31: adenine glycosylase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003824 catalytic activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006281 DNA repair
GO:0006284 base-excision repair

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3n5n, PDBe:3n5n, PDBj:3n5n
PDBsum3n5n
PubMed20816984
UniProtQ9UIF7|MUTYH_HUMAN Adenine DNA glycosylase (Gene Name=MUTYH)

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