Structure of PDB 6x9j Chain A Binding Site BS01

Receptor Information
>6x9j Chain A (length=842) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRISWVGEAVKTDGKKSYYKKVCIDAETLEVGDCVSVIPDDSSKPLYLAR
VTALWEDSSNGQMFHAHWFCAGTDTVLGATSDPLELFLVDECEDMQLSYI
HSKVKVIYKAPSENWAMEGGMDPESLLEGDDGKTYFYQLWYDQDYARFES
PPKTQPTEDNKFKFCVSCARLAEMRQKEIPRVLEQLEDLDSRVLYYSATK
NGILYRVGDGVYLPPEAFTFNIKLSSPVKRPRKEPVDEDLYPEHYRKYSD
YIKGSNLDAPEPYRIGRIKEIFCPKKSNGRPNETDIKIRVNKFYRPENTH
KSTPASYHADINLLYWSDEEAVVDFKAVQGRCTVEYGEDLPECVQVYSMG
GPNRFYFLEAYNAKSKSFEDPPNHARKLPKLRTLDVFSGCGGLSEGFHQA
GISDTLWAIEMWDPAAQAFRLNNPGSTVFTEDCNILLKLVMAGETTNSRG
QRLPQKGDVEMLCGGPPCQGFSGMNRFNSRTYSKFKNSLVVSFLSYCDYY
RPRFFLLENVRNFVSFKRSMVLKLTLRCLVRMGYQCTFGVLQAGQYGVAQ
TRRRAIILAAAPGEKLPLFPEPLHVFAPRACQLSVVVDDKKFVSNITRLS
SGPFRTITVRDTMSDLPEVRNGASALEISYNGEPQSWFQRQLRGAQYQPI
LRDHICKDMSALVAARMRHIPLAPGSDWRDLPNIEVRLSDGTMARKLRYT
HHDRKNGRSSSGALRGVCSCVEAGKACDPAARQFNTLIPWCLPHTGNRHN
HWAGLYGRLEWDGFFSTTVTNPEPMGKQGRVLHPEQHRVVSVRECARSQG
FPDTYRLFGNILDKHRQVGNAVPPPLAKAIGLEIKLCMLAKA
Ligand information
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6x9j Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		M1417 S1418 R1424 W1498 C1499 H1502 T1503 R1506 H1507 W1510 M1533
Binding residue
(residue number reindexed from 1)		M659 S660 R666 W740 C741 H744 T745 R748 H749 W752 M775
Enzymatic activity
Catalytic site (original residue number in PDB) C1226 E1266 R1310 R1312
Catalytic site (residue number reindexed from 1) C468 E508 R552 R554
Enzyme Commision number 2.1.1.37: DNA (cytosine-5-)-methyltransferase.
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
GO:0008168 methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:6x9j, PDBe:6x9j, PDBj:6x9j
PDBsum6x9j
PubMed34790902
UniProtP26358|DNMT1_HUMAN DNA (cytosine-5)-methyltransferase 1 (Gene Name=DNMT1)

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