Structure of PDB 5kkl Chain B

Receptor sequence

>5kklB (length=839) Species: 9606,759272

WTVDKIASALSVLAEEVPQNHSRLVNFLLEETEKRAPQPRHLSKTDPFAH
MKSKAVPTMDVKFKQHSGEYGKSRNSGRRFQYPVVCIKPDREPVPPYRFH
HAEIRKNILALNSQLNFVPHLRDVDPNSAEEQKYSAWLMDLENLDSKSGF
KIQPRSQKIAKRAQAEYAATLAPYLEPWLRKLNIEGCTKSNLIRFMASQP
DSMTPQQKSNLLDTYSDDMGSPQAVRNASMFTEAWDRVFNDQSKLRRVAL
RDILMLDKNVEPIFDNKRAKEALMQKVIDALGSYTTLGCLICFSHDCEHG
EIERDNQKRCFSLEEIGGLMPSLRRKWAAQIEQRQKTPPCRNECYRIHGT
GDPNQQVPPWSENEVGTLEWMFATIGYSQTLRPECFVGAILGRPCWDVHR
KLQELDLRLPPVEPRTIPKQKSLPWYDRRKKQLMSDWADATITHEHAVRE
LFAPCHHDGPCTAANGCPCASAGTHPVLCERFCLCTAEECPLKFTGCACH
SSGKTCLQRQGRPCICVQLNRECDPTLCKGCGARERADPENAYDEVLHST
GCQNVALQRGAAKAVVLGKSQLEACGYGLFAAEDIEEGEFVIEYTGELIS
HDEGVRREHRRGDVFDKVSYLFTLLEQEGIWVDAAIYGNLSRYINHATDG
NIMPKIMYVNHEWRIKFTAIKDIKAGEELFFNYGDNFPNLTKTKAARMSA
PKPLLVPKTTQPLFDPLSKVQLLPGQPLPQHPIDDSWLLLKHRDNLQDFI
DLRPEEKEFLQEWDAFILRRHISSEQYLPRYFLRFVREKADWLVSKRSRG
EEFSKLVATLLARRVLPERVVIEATQVLNDARGRLREQG

3D structure

• PDB: 5kkl Response to Comment on "Structural basis of histone H3K27 trimethylation by an active polycomb repressive complex 2".
• Chain: B
• Resolution: 2.94 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y826 Y918
• Catalytic site (residue number reindexed from 1): Y594 Y683

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ZN	B	C727 C755 C760	C497 C523 C528
BS02	ZN	B	C736 C763 C784	C506 C531 C552
BS03	ZN	B	C727 C729 C736 C746	C497 C499 C506 C514
BS04	ZN	B	C685 H687 C691 C697	C455 H457 C461 C467
BS05	ZN	B	C691 C709 C715 C720	C461 C479 C485 C490
BS06	ZN	B	C685 C699 C709 C713	C455 C469 C479 C483
BS07	ZN	B	C508 C511 C516 H518	C289 C292 C297 H299
BS08	ZN	B	C574 C625	C344 C395
BS09	SAM	B	C807 G808 Y809 S854 Y855 R877 Y878 N880 H881 Y918 F922 L925 T926 M2027	C575 G576 Y577 S619 Y620 R642 Y643 N645 H646 Y683 F687 L690 T691 M698

Gene Ontology

Molecular Function

• GO:0042054 histone methyltransferase activity

Biological Process

• GO:0006338 chromatin remodeling

External links

• PDB: RCSB:5kkl, PDBe:5kkl, PDBj:5kkl
• PDBsum: 5kkl
• PubMed: 28008038
• UniProt: G0RYC6;
  G0SDW4;
  P68431|H31_HUMAN Histone H3.1 (Gene Name=H3C1)