Structure of PDB 3pta Chain A Binding Site BS06

Receptor Information
>3pta Chain A (length=904) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFKRRRCGVCEVCQQPECGKCKACKDMVKFGGSGRSKQACQERRCPNMAM
KEADDDEEVDDNIPEMPSPKKMHQGKKKKQNKNRISWVGEAVKTDGKKSY
YKKVCIDAETLEVGDCVSVIPDDSSKPLYLARVTALWEDSSNGQMFHAHW
FCAGTDTVLGATSDPLELFLVDECEDMQLSYIHSKVKVIYKAPSENWAME
GGMDPGKTYFYQLWYDQDYARFESPPKTQPTEDNKFKFCVSCARLAEMRQ
KEIPRVLEQLEDLDSRVLYYSATKNGILYRVGDGVYLPPEAFTFNIKLSS
PKEPVDEDLYPEHYRKYSNLDAPEPYRIGRIKEIFCPKKSNGRPNETDIK
IRVNKFYRPENTHKSTPASYHADINLLYWSDEEAVVDFKAVQGRCTVEYG
EDLPECVQVYSMGGPNRFYFLEAYNAKSKSFEDPPNHARSPGKLPKLRTL
DVFSGCGGLSEGFHQAGISDTLWAIEMWDPAAQAFRLNNPGSTVFTEDCN
ILLKLVMAGETTNSRGQRLPQKGDVEMLCGGPPCQGFSGMNRFNSRTYSK
FKNSLVVSFLSYCDYYRPRFFLLENVRNFVSFKRSMVLKLTLRCLVRMGY
QCTFGVLQAGQYGVAQTRRRAIILAAAPGEKLPLFPEPLHVFAPRACQLS
VVVDDKKFVSNITRLSSGPFRTITVRDTMSDLPEVRNGASALEISYNGEP
QSWFQRQLRGAQYQPILRDHICKDMSALVAARMRHIPLAPGSDWRDLPNI
EVRLSDGTMARKLRYTHHDRKNGRSSSGALRGVCSCVACDPAARQFNTLI
PWCLPHTGNRHNHWAGLYGRLEWDGFFSTTVTNPEPMGKQGRVLHPEQHR
VVSVRECARSQGFPDTYRLFGNILDKHRQVGNAVPPPLAKAIGLEIKLCM
LAKA
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 chain3pta Chain A Residue 3 [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]
PDB3pta Structure of DNMT1-DNA complex reveals a role for autoinhibition in maintenance DNA methylation.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		H793 C820 C893
Binding residue
(residue number reindexed from 1)		H147 C174 C239
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C1226 E1266 R1310 R1312
Catalytic site (residue number reindexed from 1) C534 E574 R618 R620
Enzyme Commision number 2.1.1.37: DNA (cytosine-5-)-methyltransferase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003682 chromatin binding
GO:0008168 methyltransferase activity
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:3pta, PDBe:3pta, PDBj:3pta
PDBsum3pta
PubMed21163962
UniProtP26358|DNMT1_HUMAN DNA (cytosine-5)-methyltransferase 1 (Gene Name=DNMT1)

[Back to BioLiP]