Research workbench
Crystal structure of the brox BRO1 domain in complex with the C- terminal tail of CHMP5
Analyse Crystal structure of the brox BRO1 domain in complex with the C- terminal tail… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UM0
- Type
- protein
- Length
- 407 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BRO1 domain-containing protein brox; Charged multivesicular body protein 5
- UniProt
- Q5VW32, Q9NZZ3
- Pockets
- 5 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BRO1 domain-containing protein brox | protein | 389 | 56% helix, 4% strand | Q5VW32 |
| B | Charged multivesicular body protein 5 | protein | 18 | 0% helix, 22% strand | Q9NZZ3 |
Ligands and binding sites
- GOL · Glycerol · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 233 | 0.62 | 0.81 | 29 | empty |
| 2 | 217 | 0.57 | 0.79 | 38 | empty |
| 3 | 112 | 0.47 | 0.79 | 24 | empty |
| 4 | 61 | 0.39 | 0.79 | 10 | empty |
| 5 | 89 | 0.32 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 522 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3UM0 · Crystal structure of the Brox Bro1 domain in complex with the C-terminal tail of CHMP5 · the same entry in another collection · chain A against A, TM-score 1.00
- Q5VW32 · AlphaFold monomer V2.0 prediction for BRO1 domain-containing protein brox (Q5VW32) · a predicted model of the same protein · chain A against A, TM-score 0.96
- Q9NZZ3 · AlphaFold monomer V2.0 prediction for charged multivesicular body protein 5 (Q9NZZ3) · a predicted model of the same protein · chain B against A, TM-score 0.54
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 Q5VW32
- Every structure of UniProt Q9NZZ3
- Elsewhere: RCSB PDB 3UM0 · PDBe 3UM0 · UniProt Q5VW32 · UniProt Q9NZZ3
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