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MolNFT v1 · #22130 · protein

Crystal structure of prox from archeoglobus fulgidus in complex with trimethyl ammonium

1SW4 · Osmoprotection protein (prox): “Crystal structure of prox from archeoglobus fulgidus in complex with trimethyl ammonium”. X-ray diffraction, 2 ligands (ZN, CL), 4 pockets (best druggability 0.56). MolNFT v1 #22130 on GenesisL1: 3D…

PDB
1SW4
Type
protein
Length
540 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Osmoprotection protein (prox)
UniProt
O29280
Ligands
ZN, CL
Pockets
4 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BOsmoprotection protein (prox)protein27044% helix, 19% strandO29280

Ligands and binding sites

  • ZN · Zinc ion · metal · 7 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains A, B
  • TMA · Tetramethylammonium ion · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13120.560.7641empty
22550.550.7724empty
3720.310.7418empty
4620.290.7418empty

Interfaces

1 interface between chains.

  • A–B · 502 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 1SW4 · Crystal structure of ProX from Archeoglobus fulgidus in complex with trimethyl ammonium · the same entry in another collection · chain B against B, TM-score 1.00

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