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X-ray crystal structure of rho transcription termination factor in complex with ssrna substrate and anppnp

Analyse X-ray crystal structure of rho transcription termination factor in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1PVO
Type
protein + RNA
Length
2,407 residues
Chains
11
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-R(P*UP*C)-3'; Transcription termination factor rho
UniProt
P0AG30
Ligands
ANP
Pockets
20 · best druggability 0.83

Structure

x-ray diffraction · 4 distinct chains · 39% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
G, H, J, K, L5'-R(P*UP*C)-3'rna2——
A, C, D, FTranscription termination factor rhoprotein40840% helix, 20% strandP0AG30
BTranscription termination factor rhoprotein35839% helix, 20% strandP0AG30
ETranscription termination factor rhoprotein40739% helix, 20% strandP0AG30

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 6 copies · chains A, B, C, D, E, F

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

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111480.830.8492ANP
210950.830.84103ANP
310750.820.8399ANP
49920.800.8279ANP
511770.790.8186ANP

Interfaces

10 interfaces between chains.

  • C–D · 1620 Ų buried · 24 hydrogen bonds · protein-protein
  • E–F · 1618 Ų buried · 32 hydrogen bonds · protein-protein
  • D–E · 1603 Ų buried · 25 hydrogen bonds · protein-protein
  • B–C · 1591 Ų buried · 24 hydrogen bonds · protein-protein
  • A–B · 1077 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 1PVO · X-ray crystal structure of Rho transcription termination factor in complex with ssRNA… · the same entry in another collection · chain F against F, TM-score 1.00
  • P0AG30 · AlphaFold monomer V2.0 prediction for transcription termination factor rho (P0AG30) · a predicted model of the same protein · chain B against A, TM-score 0.98

Analyse

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