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Cryoem structure of the candida albicans ARO1 dimer

Analyse Cryoem structure of the candida albicans ARO1 dimer in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7U5S
Type
protein
Length
3,006 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pentafunctional arom polypeptide
EC
4.2.3.4, 2.5.1.19, 2.7.1.71, 4.2.1.10, 1.1.1.25
UniProt
Q5AME2
Pockets
20 · best druggability 0.75

Structure

electron microscopy · 2 distinct chains · 38% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APentafunctional arom polypeptide (EC 4.2.3.4, 2.5.1.19, 2.7.1.71, 4.2.1.10, 1.1.1.25)protein150137% helix, 18% strandQ5AME2
BPentafunctional arom polypeptide (EC 4.2.3.4, 2.5.1.19, 2.7.1.71, 4.2.1.10, 1.1.1.25)protein150539% helix, 18% strandQ5AME2

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19630.750.7887empty
27480.740.7959empty
310080.740.7765empty
49370.730.7764empty
58930.730.7792empty

Interfaces

1 interface between chains.

  • A–B · 2057 Ų buried · 27 hydrogen bonds · protein-protein

Compared structures

  • 7U5S · CryoEM structure of the Candida albicans Aro1 dimer · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5AME2 · AlphaFold monomer V2.0 prediction for pentafunctional arom polypeptide (Q5AME2) · a predicted model of the same protein · chain B against A, TM-score 0.77

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