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Crystal structure of TTHA0845 from thermus thermophilus HB8

Analyse Crystal structure of TTHA0845 from thermus thermophilus HB8 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2DJW
Type
protein
Length
799 residues
Chains
10
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable transcriptional regulator, asnc family
UniProt
Q5SK07
Ligands
ZN
Pockets
7 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, I, JProbable transcriptional regulator, asnc familyprotein8029% helix, 44% strandQ5SK07
HProbable transcriptional regulator, asnc familyprotein7923% helix, 44% strandQ5SK07

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains B, E, G, J

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

Pockets

7 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1550.440.8418empty
21190.430.7722empty
3630.420.8217empty
4750.380.7819empty
5760.350.7615empty

Interfaces

25 interfaces between chains.

  • D–I · 1456 Ų buried · 29 hydrogen bonds · protein-protein
  • A–F · 1423 Ų buried · 26 hydrogen bonds · protein-protein
  • E–J · 1415 Ų buried · 25 hydrogen bonds · protein-protein
  • B–G · 1405 Ų buried · 22 hydrogen bonds · protein-protein
  • C–H · 1368 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

  • 2DJW · Crystal structure of TTHA0845 from Thermus thermophilus HB8 · the same entry in another collection · chain A against A, TM-score 1.00

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