MolNFT v1 · #165234 · protein

Crystal structure of human BCL6 btb domain in complex with compound 6

6TOH · B-cell lymphoma 6 protein: “Crystal structure of human BCL6 btb domain in complex with compound 6”. X-ray diffraction, 1 ligand (NQK). MolNFT v1 #165234 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6TOH
Type: protein
Length: 128 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: B-cell lymphoma 6 protein; Ala-TRP-val-ile-pro-ala
UniProt: P41182
Ligands: NQK

Structure

x-ray diffraction · 2 distinct chains · 54% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	B-cell lymphoma 6 protein	protein	123	56% helix, 11% strand	P41182
B	Ala-TRP-val-ile-pro-ala	protein	5	0% helix, 20% strand	—

Ligands and binding sites

NQK · 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile · ligand · chains A
EDO · 1,2-ethanediol · additive · 4 copies · chains A, B

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

Interfaces

1 interface between chains.

A–B · 297 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

6TOH · Crystal structure of human BCL6 BTB domain in complex with compound 6 · the same entry in another collection · chain A against A, TM-score 1.00
P41182 · AlphaFold monomer V2.0 prediction for B-cell lymphoma 6 protein (P41182) · a predicted model of the same protein · chain A against A, TM-score 0.31

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 P41182
Elsewhere: RCSB PDB 6TOH · PDBe 6TOH · UniProt P41182

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