Research workbench

SET7/9-er-adomet complex

Analyse SET7/9-er-adomet complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3CBM
Type: protein
Length: 250 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Histone-lysine N-methyltransferase SETD7; Estrogen receptor
EC: 2.1.1.43
UniProt: Q8WTS6
Ligands: SAH
Pockets: 2 · best druggability 0.45

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Histone-lysine N-methyltransferase SETD7 (EC 2.1.1.43)	protein	243	11% helix, 39% strand	Q8WTS6
B	Estrogen receptor	protein	7	0% helix, 14% strand	—

Ligands and binding sites

SAH · S-adenosyl-L-homocysteine · ligand · chains A, B
BME · Beta-mercaptoethanol · additive · 3 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	162	0.45	0.75	22	SAH
2	55	0.33	0.77	16	empty

Interfaces

1 interface between chains.

A–B · 742 Å² buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent, 1 modified (additive adduct, methylation).

Compared structures

3CBM · SET7/9-ER-AdoMet complex · the same entry in another collection · chain A against A, TM-score 1.00
Q8WTS6 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase SETD7 (Q8WTS6) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q8WTS6
Elsewhere: RCSB PDB 3CBM · PDBe 3CBM · UniProt Q8WTS6

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