MolNFT v1 · #147532 · protein
Crystal structure of human brm in complex with compound 16
6EG2 · MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,PROBABLE…: “Crystal structure of human brm in complex with compound 16”. X-ray diffraction, 1 ligand (J7J), 5 pockets (best druggability 0.75). MolNFT v1 #147532 on GenesisL1: 3D…
- PDB
- 6EG2
- Type
- protein
- Length
- 619 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,PROBABLE global transcription activator…
- EC
- 3.6.4.-
- UniProt
- P0AEY0, P51531
- Ligands
- J7J
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,PROBABLE global transcription activator SNF2L2 (EC 3.6.4.-) | protein | 619 | 46% helix, 14% strand | P0AEY0, P51531 |
Ligands and binding sites
- J7J · N-(5-amino-2-chloropyridin-4-yl)-N'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea · ligand · chains A
- IPA · Isopropyl alcohol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 367 | 0.75 | 0.85 | 42 | J7J |
| 2 | 184 | 0.57 | 0.80 | 31 | empty |
| 3 | 273 | 0.56 | 0.77 | 31 | empty |
| 4 | 223 | 0.43 | 0.72 | 28 | empty |
| 5 | 56 | 0.31 | 0.76 | 13 | empty |
Compared structures
- 6EG2 · Crystal structure of human BRM in complex with compound 16 · the same entry in another collection · chain A against A, TM-score 1.00
- P51531 · AlphaFold monomer V2.0 prediction for probable global transcription activator SNF2L2… · a predicted model of the same protein · chain A against A, TM-score 0.41
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 P0AEY0
- Every structure of UniProt P51531
- Elsewhere: RCSB PDB 6EG2 · PDBe 6EG2 · UniProt P0AEY0 · UniProt P51531
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