MolNFT v1 · #81281 · protein

Crystal structure of the brox BRO1 domain in complex with the C- terminal tail of CHMP5

3UM0 · BRO1 domain-containing protein brox: “Crystal structure of the brox BRO1 domain in complex with the C- terminal tail of CHMP5”. X-ray diffraction, 5 pockets (best druggability 0.62). MolNFT v1 #81281 on GenesisL1: 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.

Pocket	Volume (Å³)	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 Å² 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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