MolNFT v1 · #128493 · protein

Crystal structure of the human bromodomain of crebbp bound to the inhibitor XDM4

5NRW · Creb-binding protein: “Crystal structure of the human bromodomain of crebbp bound to the inhibitor XDM4”. X-ray diffraction, 1 ligand (96N), 1 pocket (best druggability 0.49). MolNFT v1 #128493 on GenesisL1: 3D structure, binding…

PDB: 5NRW
Type: protein
Length: 115 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Creb-binding protein
EC: 2.3.1.48
UniProt: Q92793
Ligands: 96N
Pockets: 1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 70% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Creb-binding protein (EC 2.3.1.48)	protein	115	70% helix, 0% strand	Q92793

Ligands and binding sites

96N · 4-ethanoyl-3-ethyl-5-methyl-~{N}-(naphthalen-1-ylmethyl)-1~{H}-pyrrole-2-carboxamide · ligand · chains A
EDO · 1,2-ethanediol · additive · 4 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	81	0.49	0.82	18	96N

Compared structures

5NRW · Crystal structure of the human bromodomain of CREBBP bound to the inhibitor XDM4 · the same entry in another collection · chain A against A, TM-score 1.00
Q92793 · AlphaFold monomer V2.0 prediction for creb-binding protein (Q92793) · a predicted model of the same protein · chain A 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 Q92793
Elsewhere: RCSB PDB 5NRW · PDBe 5NRW · UniProt Q92793

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