MolNFT v1 · #121863 · protein

BRD9 in complex with CPD2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro- 1H-PYRROLO[2,3-C]PYRIDIN-4-YL)BENZAMIDE)

5I7X · Bromodomain-containing protein 9: “BRD9 in complex with CPD2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro…”. X-ray diffraction, 1 ligand (67B), 1 pocket (best druggability 0.51). MolNFT v1 #121863 on GenesisL1: 3D structure, binding…

PDB: 5I7X
Type: protein
Length: 101 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 9
UniProt: Q9H8M2
Ligands: 67B
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 60% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 9	protein	101	60% helix, 0% strand	Q9H8M2

Ligands and binding sites

67B · N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide · ligand · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	91	0.51	0.83	17	67B

Compared structures

5I7X · BRD9 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyr… · the same entry in another collection · chain A against A, TM-score 1.00
Q9H8M2 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 9 (Q9H8M2) · 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 Q9H8M2
Elsewhere: RCSB PDB 5I7X · PDBe 5I7X · UniProt Q9H8M2

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