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Crystal structure of a putative protein (AQ1627) from aquifex aeolicus

Analyse Crystal structure of a putative protein (AQ1627) from aquifex aeolicus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2EIU
Type
protein
Length
733 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein AQ_1627
UniProt
O67549
Pockets
4 · best druggability 0.71

Structure

x-ray diffraction · 4 distinct chains · 35% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical protein AQ_1627protein11537% helix, 21% strandO67549
CHypothetical protein AQ_1627protein12036% helix, 21% strandO67549
D, GHypothetical protein AQ_1627protein12435% helix, 20% strandO67549
E, FHypothetical protein AQ_1627protein12534% helix, 20% strandO67549

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16060.710.7966empty
25550.650.7658empty
3560.500.8618empty
4520.360.7914empty

Interfaces

6 interfaces between chains.

  • D–G · 1003 Ų buried · 4 hydrogen bonds · protein-protein
  • C–E · 913 Ų buried · 6 hydrogen bonds · protein-protein
  • A–F · 824 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 163 Ų buried · 0 hydrogen bonds · protein-protein
  • C–G · 158 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 2EIU · Crystal Structure of a Putative protein (AQ1627) from Aquifex aeolicus · the same entry in another collection · chain G against G, TM-score 1.00
  • O67549 · AlphaFold monomer V2.0 prediction for uncharacterized protein AQ_1627 (O67549) · a predicted model of the same protein · chain C against A, TM-score 0.99

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