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ARF1[DELTA1-17]-GDP in complex with a SEC7 domain carrying the mutation of the catalytic glutamate to lysine

Analyse ARF1[DELTA1-17]-GDP in complex with a SEC7 domain carrying the mutation of the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1R8S
Type
protein
Length
347 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ADP-ribosylation factor 1; Arno
UniProt
P84080, Q99418
Ligands
GDP, SO4, SO3
Pockets
2 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 52% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AADP-ribosylation factor 1protein16038% helix, 23% strandP84080
EArnoprotein18764% helix, 1% strandQ99418

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · chains A, E
  • SO4 · Sulfate ion · ion · chains E
  • SO3 · Sulfite ion · ion · chains A, E
  • FMT · Formic acid · additive · 3 copies · chains A, E
  • BME · Beta-mercaptoethanol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11790.610.8332SO4
22140.520.7724SO3

Interfaces

1 interface between chains.

  • A–E · 1545 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 1R8S · ARF1[DELTA1-17]-GDP in complex with a SEC7 domain carrying the mutation of the catalytic… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q99418 · AlphaFold monomer V2.0 prediction for cytohesin-2 (Q99418) · a predicted model of the same protein · chain E against A, TM-score 0.90
  • P84080 · AlphaFold monomer V2.0 prediction for ADP-ribosylation factor 1 (P84080) · a predicted model of the same protein · chain A against A, TM-score 0.85

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