GL1X · GenesisL1 explorer

MolNFT v1 · #1698 · protein

7,8-dihydroneopterin triphosphate epimerase

1B9L · Protein (epimerase): “7,8-dihydroneopterin triphosphate epimerase”. X-ray diffraction, 12 pockets (best druggability 0.78). MolNFT v1 #1698 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1B9L
Type
protein
Length
952 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (epimerase)
UniProt
P0AC19
Pockets
12 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, HProtein (epimerase)protein11932% helix, 39% strandP0AC19

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17480.780.8394empty
24050.720.8457empty
32570.660.8330empty
4900.510.8418empty
51010.510.8218empty

Interfaces

16 interfaces between chains.

  • C–D · 1116 Ų buried · 25 hydrogen bonds · protein-protein
  • E–F · 1111 Ų buried · 24 hydrogen bonds · protein-protein
  • A–C · 1105 Ų buried · 24 hydrogen bonds · protein-protein
  • A–B · 1103 Ų buried · 22 hydrogen bonds · protein-protein
  • F–H · 1096 Ų buried · 27 hydrogen bonds · protein-protein

Compared structures

  • 1B9L · 7,8-dihydroneopterin triphosphate epimerase · the same entry in another collection · chain H against H, TM-score 1.00
  • P0AC19 · AlphaFold monomer V2.0 prediction for dihydroneopterin triphosphate 2'-epimerase (P0AC19) · a predicted model of the same protein · chain A against A, TM-score 0.93

Analyse

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