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Crystal structure of a conserved protein of unknown function from sulfolobus solfataricus P2

Analyse Crystal structure of a conserved protein of unknown function from sulfolobus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2I71
Type
protein
Length
747 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein
UniProt
Q97YD5
Ligands
MG
Pockets
9 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical proteinprotein37146% helix, 22% strandQ97YD5
BHypothetical proteinprotein37646% helix, 22% strandQ97YD5

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13580.690.8238empty
22820.640.8129empty
32490.560.7834empty
41530.470.7729empty
51210.420.7721empty

Interfaces

1 interface between chains.

  • A–B · 1686 Ų buried · 42 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified, 2 disulfide (engineered, disulfide).

Compared structures

  • 2I71 · Crystal structure of a Conserved Protein of Unknown Function from Sulfolobus solfataricus… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q97YD5 · AlphaFold monomer V2.0 prediction for CRISPR system endoribonuclease CSX1 (Q97YD5) · a predicted model of the same protein · chain A against A, TM-score 0.98

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