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Complex of ARL2 and pde delta, crystal form 2 (semet)

Analyse Complex of ARL2 and pde delta, crystal form 2 (semet) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1KSJ
Type
protein
Length
306 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Arf-like protein 2; Retinal rod rhodopsin-sensitive cgmp 3',5'-cyclic phosphodiesterase…
EC
3.1.4.17
UniProt
Q9D0J4, O43924
Ligands
GDP, GTP, MG, PO4
Pockets
4 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AArf-like protein 2protein16528% helix, 27% strandQ9D0J4
BRetinal rod rhodopsin-sensitive cgmp 3',5'-cyclic phosphodiesterase delta-subunit (EC 3.1.4.17)protein14111% helix, 60% strandO43924

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · chains A
  • GTP · Guanosine-5'-triphosphate · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • PO4 · Phosphate ion · ion · chains A
  • BME · Beta-mercaptoethanol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11660.530.8028empty
21120.500.8019empty
31100.440.7824PO4, MG, GDP, GTP
4510.300.7612empty

Interfaces

1 interface between chains.

  • A–B · 878 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered, artifact).

Compared structures

  • 1KSJ · Complex of Arl2 and PDE delta, Crystal Form 2 (SeMet) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9D0J4 · AlphaFold monomer V2.0 prediction for ADP-ribosylation factor-like protein 2 (Q9D0J4) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • O43924 · AlphaFold monomer V2.0 prediction for retinal rod rhodopsin-sensitive cgmp 3',5'-cyclic… · a predicted model of the same protein · chain B against A, TM-score 0.84

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