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Structure of xanthomonas campestris effector protein xopd bound to ubiquitin

Analyse Structure of xanthomonas campestris effector protein xopd bound to ubiquitin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5JP3
Type
protein
Length
1,090 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Xanthomonas outer protein D; Polyubiquitin-B
UniProt
Q3BYJ5, P0CG47
Ligands
AYE
Pockets
17 · best druggability 0.72

Structure

x-ray diffraction · 4 distinct chains · 39% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AXanthomonas outer protein Dprotein20541% helix, 15% strandQ3BYJ5
C, GXanthomonas outer protein Dprotein19643% helix, 15% strandQ3BYJ5
EXanthomonas outer protein Dprotein19341% helix, 16% strandQ3BYJ5
B, D, H, FPolyubiquitin-Bprotein7516% helix, 36% strandP0CG47

Ligands and binding sites

  • AYE · prop-2-en-1-amine · ligand · 4 copies · chains A, B, C, D, H, G, E, F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14070.720.8359empty
22560.590.7928empty
32150.570.7936empty
41990.570.7934empty
52040.530.7736empty

Interfaces

8 interfaces between chains.

  • A–B · 1099 Ų buried · 22 hydrogen bonds · protein-protein
  • C–D · 965 Ų buried · 23 hydrogen bonds · protein-protein
  • H–G · 944 Ų buried · 17 hydrogen bonds · protein-protein
  • E–F · 838 Ų buried · 22 hydrogen bonds · protein-protein
  • C–G · 406 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 covalent (covalent ligand).

Compared structures

  • 5JP3 · Structure of Xanthomonas campestris effector protein XopD bound to ubiquitin · the same entry in another collection · chain A against A, TM-score 1.00

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