Structure of PDB 8t9g Chain C Binding Site BS01

Receptor Information

>8t9g Chain C (length=536) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ACRKRVKSEYMRLRQLKRFRRADEVKSMFSSNRQKILERTEILNQEWKQR
RIQPVHILTSVSSLRGTRECSVTSDLDFPTQVIPLKTLNAVASVPIMYSW
SPLQQNFMVHGDRECGFINDEIFVELVNALGQYSDKIFEAISSMFPDKGT
AEELKEKYKELTEQQLPGALPPECTPNIDGPNAKSVQREQSLHSFHTLFC
RRCFKYDCFLHFHATPNTYKRKNTETALDNKPCGPQCYQHLEGAKEFAAA
LTPPENVEWSGAEASMFRVLIGTYYDNFCAIARLIGTKTCRQVYEFRVKE
SSISNHVYNYQPCDHPRQPCDSSCPCVIAQNFCEKFCQCSSECQNRFPGC
RCKAQCNTKQCPCYLAVRECDPDLCLTCGAADHWDSKNVSCKNCSIQRGS
KKHLLLAPSDVAGWGIFIKDPVQKNEFISEYCGEIISQDEADRRGKVYDK
YMCSFLFNLNNDFVVDATRKGNKIRFANHSVNPNCYAKVMMVNGDHRIGI
FAKRAIQTGEELFFDYRYSQADALKYVGIEREMEIP

Ligand information

Ligand ID

SAH

InChI

InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1

InChIKey

ZJUKTBDSGOFHSH-WFMPWKQPSA-N

SMILES

Software	SMILES
CACTVS 3.341	N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341	N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N

Formula

C14 H20 N6 O5 S

Name

S-ADENOSYL-L-HOMOCYSTEINE

PDB chain

8t9g Chain C Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8t9g Activation of automethylated PRC2 by dimerization on chromatin
Resolution	6.2 Å
Binding residue (original residue number in PDB)	A627 W629 M667 S669 F691 A692 N693 H694 Y731 Y741 V742
Binding residue (residue number reindexed from 1)	A412 W414 M452 S454 F476 A477 N478 H479 Y516 Y526 V527
Annotation score	5

External links

PDB	RCSB:8t9g, PDBe:8t9g, PDBj:8t9g
PDBsum	8t9g
PubMed
UniProt	Q15910\|EZH2_HUMAN Histone-lysine N-methyltransferase EZH2 (Gene Name=EZH2)

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