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Direct visualisation of strain-induced protein prost-translational modification

Analyse Direct visualisation of strain-induced protein prost-translational modification in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4CRZ
Type
protein
Length
255 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aspartate 1-decarboxylase; Panz
EC
4.1.1.11
UniProt
P0A790, P37613
Ligands
ACO, MG, SCN
Pockets
1 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 20% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAspartate 1-decarboxylase (EC 4.1.1.11)protein12713% helix, 50% strandP0A790
BPanzprotein12827% helix, 36% strandP37613

Ligands and binding sites

  • ACO · Acetyl coenzyme *A · ligand · chains A, B
  • MG · Magnesium ion · metal · chains B
  • SCN · Thiocyanate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13140.630.8039ACO, MG

Interfaces

1 interface between chains.

  • A–B · 674 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide, 1 modified (disulfide, oxidation).

Compared structures

  • 4CRZ · Direct visualisation of strain-induced protein prost-translational modification · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A790 · AlphaFold monomer V2.0 prediction for aspartate 1-decarboxylase (P0A790) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P37613 · AlphaFold monomer V2.0 prediction for pand regulatory factor (P37613) · a predicted model of the same protein · chain B against A, TM-score 0.98

Analyse

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