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Crystal structure of a putative tena-like thiaminase (tena-1, SSO2206) from sulfolobus solfataricus P2 at 1.50 a resolution

Analyse Crystal structure of a putative tena-like thiaminase (tena-1, SSO2206) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2QZC
Type
protein
Length
413 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional activator tena-1
UniProt
Q97WL0
Pockets
2 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional activator tena-1protein20978% helix, 0% strandQ97WL0
BTranscriptional activator tena-1protein20476% helix, 0% strandQ97WL0

Ligands and binding sites

  • GOL · Glycerol · additive · 7 copies · chains A, B
  • IMD · Imidazole · additive · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14210.700.8140IMD, GOL
23640.670.8031IMD, GOL

Interfaces

1 interface between chains.

  • A–B · 759 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

  • 2QZC · Crystal structure of a putative tena-like thiaminase (tena-1, sso2206) from sulfolobus… · the same entry in another collection · chain A against A, TM-score 1.00

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