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Crystal structure of a mutant (665I6H) of the C-terminal domain of rgpb

Analyse Crystal structure of a mutant (665I6H) of the C-terminal domain of rgpb in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5AG8
Type
protein
Length
298 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
SO4
Pockets
2 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 64% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGingipain R2 (EC 3.4.22.37)protein1490% helix, 64% strandP95493

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 5 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12020.500.7630empty
21140.390.7521empty

Interfaces

1 interface between chains.

  • A–B · 419 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 5AG8 · Crystal structure of a mutant (665I6H) of the C-terminal domain of rgpb · 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 B against A, TM-score 0.58

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