Structure of PDB 1yfh Chain A Binding Site BS03

Receptor Information
>1yfh Chain A (length=165) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CEMKRTTLDSPLGKLELSGCEQGLHEIKLLGVPAPAAVLGGPEPLMQCTA
WLNAYFHQPEAIEEFPVPALHHPVFQQESFTRQVLWKLLKVVKFGEVISY
QQLAALAGNPKAARAVGGAMRGNPVPILIPCHRVVCSSGAVGNYSGGLAV
KEWLLAHEGHRLGKP
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 chain1yfh Chain A Residue 301 [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]
PDB1yfh The structure of the human AGT protein bound to DNA and its implications for damage detection.
Resolution3.01 Å
Binding residue
(original residue number in PDB)		C24 H29 H85
Binding residue
(residue number reindexed from 1)		C20 H25 H71
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.63: methylated-DNA--[protein]-cysteine S-methyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003908 methylated-DNA-[protein]-cysteine S-methyltransferase activity
Biological Process
GO:0006281 DNA repair

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1yfh, PDBe:1yfh, PDBj:1yfh
PDBsum1yfh
PubMed15964013
UniProtP16455|MGMT_HUMAN Methylated-DNA--protein-cysteine methyltransferase (Gene Name=MGMT)

[Back to BioLiP]