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Crystal structure of P23-45 GP39 (6-109) bound to thermus thermophilus RNA polymerase beta-flap domain

Analyse Crystal structure of P23-45 GP39 (6-109) bound to thermus thermophilus RNA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3WOE
Type
protein
Length
468 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-directed RNA polymerase subunit beta; Putative uncharacterized protein
EC
2.7.7.6
UniProt
Q8RQE9, A7XX65
Pockets
8 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 9% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein13011% helix, 39% strandQ8RQE9
B, DPutative uncharacterized proteinprotein1048% helix, 42% strandA7XX65

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14020.650.7842empty
23190.600.7738empty
3500.530.8912empty
42410.520.7628empty
51270.470.7921empty

Interfaces

3 interfaces between chains.

  • C–D · 1067 Ų buried · 25 hydrogen bonds · protein-protein
  • A–B · 1013 Ų buried · 25 hydrogen bonds · protein-protein
  • A–D · 593 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (engineered).

Compared structures

  • 3WOE · Crystal structure of P23-45 gp39 (6-109) bound to Thermus thermophilus RNA polymerase… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8RQE9 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta (Q8RQE9) · a predicted model of the same protein · chain A against A, TM-score 0.84

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