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Crystal structure of GRASP55 grasp domain in complex with jam-B C- terminus

Analyse Crystal structure of GRASP55 grasp domain in complex with jam-B C- terminus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5GMJ
Type
protein
Length
461 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Golgi reassembly-stacking protein 2; Junctional adhesion molecule B
UniProt
Q99JX3, Q9JI59
Pockets
5 · best druggability 0.69

Structure

x-ray diffraction · 4 distinct chains · 11% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGolgi reassembly-stacking protein 2protein22311% helix, 30% strandQ99JX3
BGolgi reassembly-stacking protein 2protein22413% helix, 30% strandQ99JX3
CJunctional adhesion molecule Bprotein80% helix, 25% strandQ9JI59
DJunctional adhesion molecule Bprotein60% helix, 33% strandQ9JI59

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13290.690.8352empty
22610.620.8029empty
31770.550.8026empty
43360.540.7534empty
5620.470.8518empty

Interfaces

3 interfaces between chains.

  • A–B · 1271 Ų buried · 22 hydrogen bonds · protein-protein
  • B–C · 688 Ų buried · 16 hydrogen bonds · protein-protein
  • A–D · 617 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 5GMJ · Crystal Structure of GRASP55 GRASP domain in complex with JAM-B C-terminus · the same entry in another collection · chain D against D, TM-score 1.00
  • Q99JX3 · AlphaFold monomer V2.0 prediction for golgi reassembly-stacking protein 2 (Q99JX3) · a predicted model of the same protein · chain A against A, TM-score 0.87
  • Q9JI59 · AlphaFold monomer V2.0 prediction for junctional adhesion molecule B (Q9JI59) · a predicted model of the same protein · chain D against A, TM-score 0.58

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