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Structural analysis of PRD1

Analyse Structural analysis of PRD1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1W8X
Type
protein
Length
4,903 residues
Chains
15
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Major capsid protein (protein P3); Protein P30; Protein P31; Protein P16
UniProt
P22535, P27391, P27384, P27392
Pockets
20 · best druggability 0.89

Structure

x-ray diffraction · 12 distinct chains · 16% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMajor capsid protein (protein P3)protein38015% helix, 42% strandP22535
B, D, H, IMajor capsid protein (protein P3)protein39216% helix, 41% strandP22535
CMajor capsid protein (protein P3)protein38517% helix, 41% strandP22535
EMajor capsid protein (protein P3)protein37817% helix, 42% strandP22535
FMajor capsid protein (protein P3)protein38816% helix, 40% strandP22535
GMajor capsid protein (protein P3)protein37514% helix, 42% strandP22535
JMajor capsid protein (protein P3)protein39015% helix, 40% strandP22535
KMajor capsid protein (protein P3)protein38417% helix, 40% strandP22535
LMajor capsid protein (protein P3)protein37917% helix, 39% strandP22535
MProtein P30protein830% helix, 1% strandP27391
NProtein P31protein1140% helix, 29% strandP27384
PProtein P16protein7942% helix, 0% strandP27392

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19350.890.91132empty
210260.850.86119empty
33470.810.9161empty
44980.810.8858empty
54850.780.8541empty

Interfaces

32 interfaces between chains.

  • J–K · 2007 Ų buried · 42 hydrogen bonds · protein-protein
  • G–I · 2002 Ų buried · 39 hydrogen bonds · protein-protein
  • D–E · 1980 Ų buried · 42 hydrogen bonds · protein-protein
  • H–I · 1963 Ų buried · 38 hydrogen bonds · protein-protein
  • B–C · 1957 Ų buried · 38 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 isopeptide (isopeptide).

Compared structures

  • 1W8X · Structural analysis of PRD1 · the same entry in another collection · chain D against D, TM-score 1.00

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