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Crystal structure of the arf family small GTPase ARF2 from candida albicans in complex with GDP

Analyse Crystal structure of the arf family small GTPase ARF2 from candida albicans in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5UF8
Type
protein
Length
641 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Potential ADP-ribosylation factor
UniProt
Q5AND9
Ligands
GDP
Pockets
7 · best druggability 0.53

Structure

x-ray diffraction · 3 distinct chains · 33% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CPotential ADP-ribosylation factorprotein16134% helix, 33% strandQ5AND9
BPotential ADP-ribosylation factorprotein15933% helix, 32% strandQ5AND9
DPotential ADP-ribosylation factorprotein16033% helix, 29% strandQ5AND9

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · 4 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12040.530.7727empty
2900.400.7611empty
3970.380.7517empty
41370.380.7327empty
5810.380.7614empty

Interfaces

3 interfaces between chains.

  • A–B · 380 Ų buried · 5 hydrogen bonds · protein-protein
  • C–D · 200 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 41 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5UF8 · Crystal structure of the ARF family small GTPase ARF2 from Candida albicans in complex… · the same entry in another collection · chain A against A, TM-score 1.00

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