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MolNFT v1 · #65852 · protein

Crystal structure of the membrane fusion protein cusb from escherichia COLI

3H94 · Cation efflux system protein cusb: “Crystal structure of the membrane fusion protein cusb from escherichia COLI”. X-ray diffraction, 1 ligand (AG), 6 pockets (best druggability 0.63). MolNFT v1 #65852 on GenesisL1: 3D structure…

PDB
3H94
Type
protein
Length
594 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cation efflux system protein cusb
UniProt
P77239
Ligands
AG
Pockets
6 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCation efflux system protein cusbprotein29717% helix, 39% strandP77239

Ligands and binding sites

  • AG · Silver ion · metal · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11180.630.8724empty
22030.600.8133empty
3720.530.8624empty
4830.450.8025empty
51180.430.7619empty

Interfaces

1 interface between chains.

  • A–B · 982 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 3H94 · Crystal structure of the membrane fusion protein CusB from Escherichia coli · the same entry in another collection · chain A against A, TM-score 1.00
  • P77239 · AlphaFold monomer V2.0 prediction for cation efflux system protein cusb (P77239) · a predicted model of the same protein · chain A against A, TM-score 0.80

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