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Structural basis for the conformational modulation

Analyse Structural basis for the conformational modulation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4A5T
Type
protein
Length
767 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Plasminogen
EC
3.4.21.7
UniProt
P00747
Ligands
NGA, GAL, SIA, CL
Pockets
7 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
SPlasminogen (EC 3.4.21.7)protein7677% helix, 25% strandP00747

Ligands and binding sites

  • NGA · 2-acetamido-2-deoxy-beta-D-galactopyranose · sugar · chains S
  • GAL · beta-D-galactopyranose · sugar
  • SIA · N-acetyl-alpha-neuraminic acid · sugar
  • CL · Chloride ion · ion · 2 copies · chains S

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110420.750.7886empty
27890.660.7493CL
33490.660.8040empty
41140.530.8224empty
5870.410.7821empty

Modifications

Observed in the structure: 24 disulfide, 1 glycan (disulfide, O-glycosylation).

Compared structures

  • 4A5T · Structural basis for the conformational modulation · the same entry in another collection · chain S against S, TM-score 1.00
  • P00747 · AlphaFold monomer V2.0 prediction for plasminogen (P00747) · a predicted model of the same protein · chain S against A, TM-score 0.72

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