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Crystal structure of C-terminal domain of cargo proteins of type IX secretion system

Analyse Crystal structure of C-terminal domain of cargo proteins of type IX secretion… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5HFS
Type
protein
Length
130 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Gingipain R2
EC
3.4.22.37
UniProt
P95493
Ligands
ZN, CA
Pockets
1 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 74% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGingipain R2 (EC 3.4.22.37)protein650% helix, 74% strandP95493

Ligands and binding sites

  • ZN · Zinc ion · metal · 5 copies · chains B
  • CA · Calcium ion · metal · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1580.470.8525empty

Interfaces

1 interface between chains.

  • A–B · 1437 Ų buried · 28 hydrogen bonds · protein-protein

Compared structures

  • 5HFS · Crystal structure of C-terminal domain of cargo proteins of type IX secretion system · the same entry in another collection · chain A against A, TM-score 1.00
  • P95493 · AlphaFold monomer V2.0 prediction for gingipain R2 (P95493) · a predicted model of the same protein · chain A against A, TM-score 0.81

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