GL1X · GenesisL1 explorer

MolNFT v1 · #54778 · protein

Structural basis for amsh-escrt-III CHMP3 interaction

2XZE · Stam-binding protein: “Structural basis for amsh-escrt-III CHMP3 interaction”. X-ray diffraction, 3 pockets (best druggability 0.67). MolNFT v1 #54778 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2XZE
Type
protein
Length
322 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Stam-binding protein; Charged multivesicular body protein 3
EC
3.4.19.-
UniProt
O95630, Q9Y3E7
Pockets
3 · best druggability 0.67

Structure

x-ray diffraction · 4 distinct chains · 76% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AStam-binding protein (EC 3.4.19.-)protein14174% helix, 0% strandO95630
BStam-binding protein (EC 3.4.19.-)protein13876% helix, 0% strandO95630
QCharged multivesicular body protein 3protein2387% helix, 0% strandQ9Y3E7
RCharged multivesicular body protein 3protein2080% helix, 0% strandQ9Y3E7

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13600.670.8139empty
22060.500.7630empty
3920.350.7517empty

Interfaces

5 interfaces between chains.

  • A–Q · 928 Ų buried · 15 hydrogen bonds · protein-protein
  • B–R · 866 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 344 Ų buried · 1 hydrogen bond · protein-protein
  • A–R · 222 Ų buried · 1 hydrogen bond · protein-protein
  • B–Q · 93 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 2XZE · Structural basis for AMSH-ESCRT-III CHMP3 interaction · the same entry in another collection · chain R against R, TM-score 1.00
  • O95630 · AlphaFold monomer V2.0 prediction for stam-binding protein (O95630) · a predicted model of the same protein · chain B against A, TM-score 0.96
  • Q9Y3E7 · AlphaFold monomer V2.0 prediction for charged multivesicular body protein 3 (Q9Y3E7) · a predicted model of the same protein · chain Q against A, TM-score 0.59

Analyse

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