MolNFT v1 · #81279 · protein

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

3ULY · BRO1 domain-containing protein brox: “Crystal structure of brox BRO1 domain in complex with the C-terminal tails of CHMP5”. X-ray diffraction, 5 pockets (best druggability 0.57). MolNFT v1 #81279 on GenesisL1: 3D structure, binding…

PDB: 3ULY
Type: protein
Length: 406 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 0.57

Structure

x-ray diffraction · 2 distinct chains · 55% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	BRO1 domain-containing protein brox	protein	389	57% helix, 4% strand	Q5VW32
B	Charged multivesicular body protein 5	protein	17	0% helix, 24% 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	198	0.57	0.79	26	empty
2	88	0.46	0.80	20	empty
3	140	0.45	0.77	26	empty
4	82	0.42	0.79	19	empty
5	76	0.29	0.72	19	empty

Interfaces

1 interface between chains.

A–B · 520 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

3ULY · Crystal Structure of BROX Bro1 Domain in Complex with the C-Terminal Tails 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 0.53

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 3ULY · PDBe 3ULY · UniProt Q5VW32 · UniProt Q9NZZ3

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