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MolNFT v1 · #139132 · protein

Crystal structure of pseudorabies virus glycoprotein D

5X5W · Gd: “Crystal structure of pseudorabies virus glycoprotein D”. X-ray diffraction, 6 pockets (best druggability 0.55). MolNFT v1 #139132 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5X5W
Type
protein
Length
680 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Gd; Nectin-1
UniProt
G3G933, Q9GL76
Pockets
6 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 14% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CGdprotein23319% helix, 31% strandG3G933
B, DNectin-1protein1073% helix, 56% strandQ9GL76

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13520.550.7545empty
22110.550.7844empty
31640.530.7933empty
41790.460.7534empty
5740.360.7718empty

Interfaces

3 interfaces between chains.

  • A–B · 1204 Ų buried · 10 hydrogen bonds · protein-protein
  • C–D · 1180 Ų buried · 15 hydrogen bonds · protein-protein
  • A–C · 399 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 5X5W · Crystal structure of pseudorabies virus glycoprotein D · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9GL76 · AlphaFold monomer V2.0 prediction for nectin-1 (Q9GL76) · a predicted model of the same protein · chain B against A, TM-score 0.93

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