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Crystal structure of ARL1-GTP and dcb domain of BIG1 complex

Analyse Crystal structure of ARL1-GTP and dcb domain of BIG1 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5J5C
Type
protein
Length
359 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ADP-ribosylation factor-like protein 1; Brefeldin a-inhibited guanine nucleotide-exchange…
UniProt
P40616, Q9Y6D6
Ligands
GTP, MG, SO4
Pockets
6 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 52% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AADP-ribosylation factor-like protein 1protein16535% helix, 25% strandP40616
BBrefeldin a-inhibited guanine nucleotide-exchange protein 1protein19466% helix, 0% strandQ9Y6D6

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 2 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15550.710.8073SO4
21200.650.8825empty
3840.440.8017empty
4610.340.7816MG, GTP
5510.280.7518empty

Interfaces

1 interface between chains.

  • A–B · 938 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 5J5C · Crystal structure of ARL1-GTP and DCB domain of BIG1 complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P40616 · AlphaFold monomer V2.0 prediction for ADP-ribosylation factor-like protein 1 (P40616) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • Q9Y6D6 · AlphaFold monomer V2.0 prediction for brefeldin a-inhibited guanine nucleotide-exchange… · a predicted model of the same protein · chain B against A, TM-score 0.91

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