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Crystal structure of TA1416,DNA-directed RNA polymerase subunit L, from thermoplasma acidophilum

Analyse Crystal structure of TA1416,DNA-directed RNA polymerase subunit L, from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1XPP
Type
protein
Length
397 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-directed RNA polymerase subunit L
EC
2.7.7.6
UniProt
Q9HIC5
Ligands
SCN
Pockets
3 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 44% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CDNA-directed RNA polymerase subunit L (EC 2.7.7.6)protein9944% helix, 27% strandQ9HIC5
BDNA-directed RNA polymerase subunit L (EC 2.7.7.6)protein9845% helix, 29% strandQ9HIC5
DDNA-directed RNA polymerase subunit L (EC 2.7.7.6)protein10143% helix, 28% strandQ9HIC5

Ligands and binding sites

  • SCN · Thiocyanate ion · ion · 3 copies · chains A, B, C, D
  • ACY · Acetic acid · additive · chains A, B
  • FMT · Formic acid · additive · chains C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12340.610.8139empty
21270.440.7725empty
3540.380.8015SCN

Interfaces

6 interfaces between chains.

  • C–D · 1923 Ų buried · 22 hydrogen bonds · protein-protein
  • A–B · 1808 Ų buried · 21 hydrogen bonds · protein-protein
  • B–D · 304 Ų buried · 10 hydrogen bonds · protein-protein
  • A–C · 214 Ų buried · 4 hydrogen bonds · protein-protein
  • A–D · 170 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 1XPP · Crystal Structure of TA1416,DNA-directed RNA polymerase subunit L, from Thermoplasma… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HIC5 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit L (Q9HIC5) · a predicted model of the same protein · chain B against A, TM-score 0.91

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