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Crystal structure of an engineered subtilisin inhibitor complexed with bovine trypsin

Analyse Crystal structure of an engineered subtilisin inhibitor complexed with bovine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2TLD
Type
protein
Length
330 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trypsin; Streptomyces subtilisin inhibitor (ssi)
EC
3.4.21.4
UniProt
P00760, P01006
Pockets
1 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ETrypsin (EC 3.4.21.4)protein2200% helix, 0% strandP00760
IStreptomyces subtilisin inhibitor (ssi)protein1100% helix, 0% strandP01006

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14600.610.7394empty

Interfaces

1 interface between chains.

  • E–I · 155 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 2TLD · Crystal structure of an engineered subtilisin inhibitor complexed with bovine trypsin · the same entry in another collection · chain E against E, TM-score 1.00
  • 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.98
  • 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.98
  • 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.98
  • 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.98
  • 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.98
  • 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.98
  • P01006 · AlphaFold monomer V2.0 prediction for subtilisin inhibitor (P01006) · a predicted model of the same protein · chain I against A, TM-score 0.90

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