Structure of PDB 7ef9 Chain A Binding Site BS04

Receptor Information
>7ef9 Chain A (length=414) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QASVSPYHLFSDVADVTAFRSNLLSWYDQEKRDLPWRNLAKEEANSDRRA
YAVWVSEVMLQQTQVATVIDYYTRWMQKWPKLQDLASASLEEVNQLWSGL
GYYSRGRRLQEGARKVVEELGGHMPRTAETLQQLLPGVGRYTAGAIASIA
FDQVTGVVDGNVLRVLCRVRAIGADPTSTLVSHHLWNLAQQLVDPARPGD
FNQAAMELGATVCTPQRPLCSHCPVQSLCRAYQRVQRGQLSEECALNTRQ
CQLCLTSSSPWDPSMGVANFPRKASRRPPREEYSATCVVEQPGAIGGPLV
LLVQRPDSGLLAGLWEFPSVTLEPSEQHQHKALLQELQRWCGPLPAIRLQ
HLGEVIHIFSHIKLTYQVYSLALDQAPASTAPPGARWLTWEEFCNAAVST
AMKKVFRMYEDHRQ
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7ef9 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ef9 Structure of the mammalian adenine DNA glycosylase MUTYH: insights into the base excision repair pathway and cancer.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		H56 C300
Binding residue
(residue number reindexed from 1)		H8 C244
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E105 Y189 D207
Catalytic site (residue number reindexed from 1) E57 Y141 D159
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:7ef9, PDBe:7ef9, PDBj:7ef9
PDBsum7ef9
PubMed34142156
UniProtQ99P21|MUTYH_MOUSE Adenine DNA glycosylase (Gene Name=Mutyh)

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