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Crystal structure of an insect inhibitor with a fungal trypsin

Analyse Crystal structure of an insect inhibitor with a fungal trypsin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2VU8
Type
protein
Length
257 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trypsin; Pacifastin-related serine protease inhibitor
EC
3.4.21.4
UniProt
P35049, Q8WQ22
Pockets
1 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 11% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ETrypsin (EC 3.4.21.4)protein22413% helix, 38% strandP35049
IPacifastin-related serine protease inhibitorprotein330% helix, 39% strandQ8WQ22

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11190.410.7630empty

Interfaces

1 interface between chains.

  • E–I · 898 Ų buried · 27 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 2VU8 · Crystal structure of an insect inhibitor with a fungal trypsin · the same entry in another collection · chain E against E, TM-score 1.00
  • P35049 · AlphaFold monomer V2.0 prediction for trypsin (P35049) · a predicted model of the same protein · chain E against A, TM-score 0.99

Analyse

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