Structure of PDB 7ef8 Chain A Binding Site BS03

Receptor Information
>7ef8 Chain A (length=402) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVSPYHLFSDVADVTAFRSNLLSWYDQEKRDLPWRNLAKEEANSDRRAYA
VWVSEVMLQQTQVATVIDYYTRWMQKWPKLQDLASASLEEVNQLWSGLGY
YSRGRRLQEGARKVVEELGGHMPRTAETLQQLLPGVGRYTAGAIASIAFD
QVTGVVDGNVLRVLCRVRAIGADPTSTLVSHHLWNLAQQLVDPARPGDFN
QAAMELGATVCTPQRPLCSHCPVQSLCRAYQRVQEECACQLCLTSSSPWD
PSMGVANFPRKASRRPPREEYSATCVVEQPGAIGGPLVLLVQRPDSGLLA
GLWEFPSVTLEPSEQHQHKALLQELQRWCGPLPAIRLQHLGEVIHIFSHI
KLTYQVYSLALDQAPASTAPPGARWLTWEEFCNAAVSTAMKKVFRMYEDH
RQ
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 chain7ef8 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ef8 Structure of the mammalian adenine DNA glycosylase MUTYH: insights into the base excision repair pathway and cancer.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		R216 C261 C268 C271 Q274 C277 V323
Binding residue
(residue number reindexed from 1)		R166 C211 C218 C221 Q224 C227 V255
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E105 Y189 D207
Catalytic site (residue number reindexed from 1) E55 Y139 D157
Enzyme Commision number 3.2.2.31: adenine glycosylase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0019104 DNA N-glycosylase activity
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006284 base-excision repair

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7ef8, PDBe:7ef8, PDBj:7ef8
PDBsum7ef8
PubMed34142156
UniProtQ99P21|MUTYH_MOUSE Adenine DNA glycosylase (Gene Name=Mutyh)

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