MolNFT v1 · #73280 · protein

Crystal structure of the bromodomain of human CECR2

3NXB · Cat eye syndrome critical region protein 2: “Crystal structure of the bromodomain of human CECR2”. X-ray diffraction, 3 pockets (best druggability 0.68). MolNFT v1 #73280 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3NXB
Type: protein
Length: 201 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cat eye syndrome critical region protein 2
UniProt: Q9BXF3
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 69% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cat eye syndrome critical region protein 2	protein	101	66% helix, 0% strand	Q9BXF3
B	Cat eye syndrome critical region protein 2	protein	100	71% helix, 0% strand	Q9BXF3

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 3 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	265	0.68	0.84	31	EDO
2	78	0.54	0.85	15	EDO
3	173	0.45	0.75	26	empty

Interfaces

1 interface between chains.

A–B · 372 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3NXB · Crystal Structure of the Bromodomain of human CECR2 · the same entry in another collection · chain A against A, TM-score 1.00
Q9BXF3 · AlphaFold monomer V2.0 prediction for cat eye syndrome critical region protein 2 (Q9BXF3) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 Q9BXF3
Elsewhere: RCSB PDB 3NXB · PDBe 3NXB · UniProt Q9BXF3

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