MolNFT v1 · #128870 · protein
Human BRD2(BD2) mutant in complex with al-tbu
5O3I · Bromodomain-containing protein 2: “Human BRD2(BD2) mutant in complex with al-tbu”. X-ray diffraction, 3 ligands (9HN, DQW, CL), 1 pocket (best druggability 0.54). MolNFT v1 #128870 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5O3I
- Type
- protein
- Length
- 111 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 2
- UniProt
- P25440
- Ligands
- 9HN, DQW, CL
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 2 | protein | 111 | 68% helix, 0% strand | P25440 |
Ligands and binding sites
- 9HN · ~{tert}-butyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-A][1, 4]benzodiazepin-4-yl]pent-4-enoate · ligand · chains A
- DQW · (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol · ligand · chains A
- CL · Chloride ion · ion · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 140 | 0.54 | 0.81 | 19 | 9HN |
Compared structures
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 P25440
- Elsewhere: RCSB PDB 5O3I · PDBe 5O3I · UniProt P25440
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