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MolNFT v1 · #38019 · protein

Crystal structure of a protein of unknown function from salmonella typhimurium

2GJV · Putative cytoplasmic protein: “Crystal structure of a protein of unknown function from salmonella typhimurium”. X-ray diffraction, 2 ligands (CA, CL), 12 pockets (best druggability 0.45). MolNFT v1 #38019 on GenesisL1: 3D structure…

PDB
2GJV
Type
protein
Length
816 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative cytoplasmic protein
UniProt
Q8ZKJ0
Ligands
CA, CL
Pockets
12 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FPutative cytoplasmic proteinprotein13624% helix, 39% strandQ8ZKJ0

Ligands and binding sites

  • CA · Calcium ion · metal · 8 copies · chains A, B, C, D, E, F
  • CL · Chloride ion · ion · 6 copies · chains A, B, C, D, E, F

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

Pockets

12 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1980.450.7919empty
2630.440.8214empty
3740.430.8117empty
41000.420.7818empty
5970.420.7826empty

Interfaces

6 interfaces between chains.

  • E–F · 1004 Ų buried · 13 hydrogen bonds · protein-protein
  • D–E · 999 Ų buried · 14 hydrogen bonds · protein-protein
  • C–D · 986 Ų buried · 17 hydrogen bonds · protein-protein
  • A–B · 985 Ų buried · 18 hydrogen bonds · protein-protein
  • B–C · 977 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 2GJV · Crystal Structure of a Protein of Unknown Function from Salmonella typhimurium · the same entry in another collection · chain A against A, TM-score 1.00

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