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Crystal structure of a ybjq-like protein of unknown function (SSO2532) from sulfolobus solfataricus P2 at 1.76 a resolution

Analyse Crystal structure of a ybjq-like protein of unknown function (SSO2532) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1VPH
Type
protein
Length
838 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein SSO2532
UniProt
Q97VS8
Ligands
K, PO4, CL
Pockets
4 · best druggability 0.77

Structure

x-ray diffraction · 4 distinct chains · 28% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, D, EHypothetical protein SSO2532protein13829% helix, 40% strandQ97VS8
BHypothetical protein SSO2532protein13729% helix, 40% strandQ97VS8
CHypothetical protein SSO2532protein14428% helix, 38% strandQ97VS8
FHypothetical protein SSO2532protein14328% helix, 38% strandQ97VS8

Ligands and binding sites

  • K · Potassium ion · metal · 4 copies · chains A, B, C, D, E, F
  • PO4 · Phosphate ion · ion · 11 copies · chains A, B, C, D, E, F
  • CL · Chloride ion · ion · chains C
  • EDO · 1,2-ethanediol · additive · chains A, D, E

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111630.770.7972empty
2550.690.9818empty
3520.680.9817empty
41020.370.7518EDO

Interfaces

12 interfaces between chains.

  • D–F · 1487 Ų buried · 22 hydrogen bonds · protein-protein
  • B–C · 1472 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 1467 Ų buried · 22 hydrogen bonds · protein-protein
  • D–E · 1454 Ų buried · 24 hydrogen bonds · protein-protein
  • A–C · 1441 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

  • 1VPH · CRYSTAL STRUCTURE OF a YbjQ-like protein of unknown function (SSO2532) FROM SULFOLOBUS… · the same entry in another collection · chain A against A, TM-score 1.00

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