MolNFT v1 · #85413 · protein

Crystal structure of CHMP4B hairpin

4ABM · Charged multivesicular body protein 4B: “Crystal structure of CHMP4B hairpin”. X-ray diffraction, 4 pockets (best druggability 0.81). MolNFT v1 #85413 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4ABM
Type: protein
Length: 313 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Charged multivesicular body protein 4B
UniProt: Q9H444
Pockets: 4 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 89% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Charged multivesicular body protein 4B	protein	79	92% helix, 0% strand	Q9H444
C	Charged multivesicular body protein 4B	protein	78	88% helix, 0% strand	Q9H444
D	Charged multivesicular body protein 4B	protein	77	87% helix, 0% strand	Q9H444

Pockets

4 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	1050	0.81	0.82	66	empty
2	123	0.51	0.80	20	empty
3	95	0.38	0.76	20	empty
4	53	0.28	0.75	11	empty

Interfaces

5 interfaces between chains.

A–B · 915 Å² buried · 9 hydrogen bonds · protein-protein
B–D · 612 Å² buried · 11 hydrogen bonds · protein-protein
C–D · 420 Å² buried · 3 hydrogen bonds · protein-protein
A–C · 363 Å² buried · 11 hydrogen bonds · protein-protein
A–D · 134 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4ABM · Crystal Structure of CHMP4B hairpin · the same entry in another collection · chain D against D, TM-score 1.00
Q9H444 · AlphaFold monomer V2.0 prediction for charged multivesicular body protein 4B (Q9H444) · a predicted model of the same protein · chain B against A, TM-score 0.91

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 Q9H444
Elsewhere: RCSB PDB 4ABM · PDBe 4ABM · UniProt Q9H444

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