Structure of PDB 5kkl Chain B Binding Site BS05

Receptor Information
>5kkl Chain B (length=839) Species: 9606,759272 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WTVDKIASALSVLAEEVPQNHSRLVNFLLEETEKRAPQPRHLSKTDPFAH
MKSKAVPTMDVKFKQHSGEYGKSRNSGRRFQYPVVCIKPDREPVPPYRFH
HAEIRKNILALNSQLNFVPHLRDVDPNSAEEQKYSAWLMDLENLDSKSGF
KIQPRSQKIAKRAQAEYAATLAPYLEPWLRKLNIEGCTKSNLIRFMASQP
DSMTPQQKSNLLDTYSDDMGSPQAVRNASMFTEAWDRVFNDQSKLRRVAL
RDILMLDKNVEPIFDNKRAKEALMQKVIDALGSYTTLGCLICFSHDCEHG
EIERDNQKRCFSLEEIGGLMPSLRRKWAAQIEQRQKTPPCRNECYRIHGT
GDPNQQVPPWSENEVGTLEWMFATIGYSQTLRPECFVGAILGRPCWDVHR
KLQELDLRLPPVEPRTIPKQKSLPWYDRRKKQLMSDWADATITHEHAVRE
LFAPCHHDGPCTAANGCPCASAGTHPVLCERFCLCTAEECPLKFTGCACH
SSGKTCLQRQGRPCICVQLNRECDPTLCKGCGARERADPENAYDEVLHST
GCQNVALQRGAAKAVVLGKSQLEACGYGLFAAEDIEEGEFVIEYTGELIS
HDEGVRREHRRGDVFDKVSYLFTLLEQEGIWVDAAIYGNLSRYINHATDG
NIMPKIMYVNHEWRIKFTAIKDIKAGEELFFNYGDNFPNLTKTKAARMSA
PKPLLVPKTTQPLFDPLSKVQLLPGQPLPQHPIDDSWLLLKHRDNLQDFI
DLRPEEKEFLQEWDAFILRRHISSEQYLPRYFLRFVREKADWLVSKRSRG
EEFSKLVATLLARRVLPERVVIEATQVLNDARGRLREQG
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 chain5kkl Chain B Residue 8005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5kkl Response to Comment on "Structural basis of histone H3K27 trimethylation by an active polycomb repressive complex 2".
Resolution2.94 Å
Binding residue
(original residue number in PDB)		C691 C709 C715 C720
Binding residue
(residue number reindexed from 1)		C461 C479 C485 C490
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y826 Y918
Catalytic site (residue number reindexed from 1) Y594 Y683
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042054 histone methyltransferase activity
Biological Process
GO:0006338 chromatin remodeling

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5kkl, PDBe:5kkl, PDBj:5kkl
PDBsum5kkl
PubMed28008038
UniProtG0RYC6;
G0SDW4;
P68431|H31_HUMAN Histone H3.1 (Gene Name=H3C1)

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