GL1X · GenesisL1 explorer

MolNFT v1 · #16068 · protein

Hypothetical protein from pyrococcus furiosus pfu-1218608

1NNW: “Hypothetical protein from pyrococcus furiosus pfu-1218608”. X-ray diffraction, 2 ligands (PT, NA), 5 pockets (best druggability 0.49). MolNFT v1 #16068 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1NNW
Type
protein
Length
502 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein
UniProt
Q8U1C6
Ligands
PT, NA
Pockets
5 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BHypothetical proteinprotein25138% helix, 23% strandQ8U1C6

Ligands and binding sites

  • PT · Platinum (II) ion · metal · 4 copies · chains A, B
  • NA · Sodium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11910.490.7631empty
21630.470.7623empty
31050.420.7723empty
4800.380.7726empty
5830.350.7513empty

Interfaces

1 interface between chains.

  • A–B · 970 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 1NNW · hypothetical protein from Pyrococcus furiosus Pfu-1218608 · the same entry in another collection · chain A against A, TM-score 1.00

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