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C. jejuni agmatine deiminase

Analyse C. jejuni agmatine deiminase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6B10
Type
protein
Length
646 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative peptidyl-arginine deiminase family protein
UniProt
Q0P9V0
Ligands
K, PO4
Pockets
6 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative peptidyl-arginine deiminase family proteinprotein31731% helix, 30% strandQ0P9V0
BPutative peptidyl-arginine deiminase family proteinprotein32931% helix, 29% strandQ0P9V0

Ligands and binding sites

  • K · Potassium ion · metal · 2 copies · chains A, B
  • PO4 · Phosphate ion · ion · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1860.770.9819empty
2740.750.9818empty
36050.650.7667empty
4990.420.7818empty
5900.380.7722empty

Interfaces

1 interface between chains.

  • A–B · 114 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 6B10 · C. Jejuni Agmatine Deiminase · the same entry in another collection · chain A against A, TM-score 1.00

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