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MolNFT v1 · #22960 · protein

Crystal structure of conserved protein of unknown function SSO0622 from sulfolobus solfataricus

1TLJ · Hypothetical UPF0130 protein SSO0622: “Crystal structure of conserved protein of unknown function SSO0622 from sulfolobus solfataricus”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.68). MolNFT v1 #22960 on…

PDB
1TLJ
Type
protein
Length
377 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical UPF0130 protein SSO0622
UniProt
Q9UX16
Ligands
SO4
Pockets
5 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical UPF0130 protein SSO0622protein18943% helix, 28% strandQ9UX16
BHypothetical UPF0130 protein SSO0622protein18843% helix, 27% strandQ9UX16

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12620.680.8451SO4
21710.510.7828empty
3850.500.8323empty
41110.400.7620empty
5780.350.7619empty

Interfaces

1 interface between chains.

  • A–B · 1596 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 1TLJ · Crystal Structure of Conserved Protein of Unknown Function SSO0622 from Sulfolobus… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UX16 · AlphaFold monomer V2.0 prediction for TRNA(PHE) 7-((3-amino-3-carboxy… · a predicted model of the same protein · chain B against A, TM-score 0.97

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