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Structure of human G9A set-domain (EHMT2) in complex with covalent inhibitor (compound 1)

Analyse Structure of human G9A set-domain (EHMT2) in complex with covalent inhibitor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7T7L
Type: protein
Length: 1,069 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q96KQ7
Ligands: G5U, G4R, ZN

Structure

x-ray diffraction · 4 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	267	—	Q96KQ7
B	—	protein	265	—	Q96KQ7
C	—	protein	267	—	Q96KQ7
D	—	protein	270	—	Q96KQ7

Ligands and binding sites

G5U · N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl) propanamide · ligand · 3 copies · chains A, B, D
G4R · N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide · ligand · chains C
ZN · Zinc ion · metal · 16 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

7T7L · Structure of human G9a SET-domain (EHMT2) in complex with covalent inhibitor (Compound 1) · the same entry in another collection · chain D against D, TM-score 1.00
Q96KQ7 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase EHMT2 (Q96KQ7) · a predicted model of the same protein · chain C against A, TM-score 0.99

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Every structure of UniProt Q96KQ7
Elsewhere: RCSB PDB 7T7L · PDBe 7T7L · UniProt Q96KQ7

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