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Crystal structure of stabilized active plasminogen activator inhibitor-1 (pai-1-stab) in complex with an inhibitory nanobody (vhh- 2G-42)

Analyse Crystal structure of stabilized active plasminogen activator inhibitor-1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6GWQ
Type
protein
Length
475 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Plasminogen activator inhibitor-1; Vhh-2G-42
UniProt
P05121
Pockets
3 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APlasminogen activator inhibitor-1protein36031% helix, 32% strandP05121
BVhh-2G-42protein1155% helix, 57% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11090.510.8217empty
2700.450.8214empty
3640.350.7721empty

Interfaces

1 interface between chains.

  • A–B · 615 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6GWQ · Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) in… · the same entry in another collection · chain A against A, TM-score 1.00
  • P05121 · AlphaFold monomer V2.0 prediction for plasminogen activator inhibitor 1 (P05121) · a predicted model of the same protein · chain A against A, TM-score 0.98

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