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MolNFT v1 · #71921 · protein

Crystal structure of a putative nitrate transport protein (TVN0104) from thermoplasma volcanium at 1.35 a resolution

3MST: “Crystal structure of a putative nitrate transport protein (TVN0104) from thermoplasma volcanium at 1.35 a…”. X-ray diffraction, 2 ligands (UNL, CL), 2 pockets (best druggability 0.70). MolNFT v1 #71921 on GenesisL1: 3D structure…

PDB
3MST
Type
protein
Length
233 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative nitrate transport protein
UniProt
Q97CJ8
Ligands
UNL, CL
Pockets
2 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative nitrate transport proteinprotein23344% helix, 20% strandQ97CJ8

Ligands and binding sites

  • UNL · Unknown ligand · ligand · chains A
  • CL · Chloride ion · ion · 5 copies · chains A
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A
  • ACT · Acetate ion · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1550.700.9817UNL, CL
22850.640.8132ACT

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 3MST · Crystal structure of a Putative nitrate transport protein (TVN0104) from THERMOPLASMA… · the same entry in another collection · chain A against A, TM-score 1.00

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