MolNFT v1 · #181590 · protein

Crystal structure of SETD2 bound to compound 57

7LZF: “Crystal structure of SETD2 bound to compound 57”. X-ray diffraction, 2 ligands (YHV, ZN). MolNFT v1 #181590 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7LZF
Type: protein
Length: 240 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q9BYW2
Ligands: YHV, ZN

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	240	—	Q9BYW2

Ligands and binding sites

YHV · 4-fluoro-N-[(1R,3S)-3-{(3S)-3-[(methanesulfonyl) (methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1H-indole-2-carboxamide · ligand · chains A
ZN · Zinc ion · metal · 3 copies · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Compared structures

7LZF · Crystal Structure of SETD2 bound to Compound 57 · the same entry in another collection · chain A against A, TM-score 1.00
Q9BYW2 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase SETD2 (Q9BYW2) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 Q9BYW2
Elsewhere: RCSB PDB 7LZF · PDBe 7LZF · UniProt Q9BYW2

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