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MolNFT v1 · #18627 · protein + DNA

X-ray crystal structure of the rho transcription termination factor in complex with single stranded DNA

1PV4 · 5'-D(P*CP*C)-3': “X-ray crystal structure of the rho transcription termination factor in complex with single stranded DNA”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #18627 on GenesisL1: 3D structure, binding…

PDB
1PV4
Type
protein + DNA
Length
2,407 residues
Chains
11
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(P*CP*C)-3'; Transcription termination factor rho
UniProt
P0AG30
Pockets
20 · best druggability 0.83

Structure

x-ray diffraction · 4 distinct chains · 40% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
G, H, J, K, L5'-D(P*CP*C)-3'dna2——
A, C, D, FTranscription termination factor rhoprotein40840% helix, 19% strandP0AG30
BTranscription termination factor rhoprotein35840% helix, 22% strandP0AG30
ETranscription termination factor rhoprotein40741% helix, 20% strandP0AG30

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110740.830.84100empty
210700.830.8496empty
311980.820.83101empty
49950.800.8285empty
510880.790.8190empty

Interfaces

10 interfaces between chains.

  • B–C · 1577 Ų buried · 28 hydrogen bonds · protein-protein
  • D–E · 1566 Ų buried · 25 hydrogen bonds · protein-protein
  • C–D · 1552 Ų buried · 27 hydrogen bonds · protein-protein
  • E–F · 1536 Ų buried · 32 hydrogen bonds · protein-protein
  • A–B · 1113 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 93 modified (engineered).

Compared structures

  • 1PV4 · X-ray crystal structure of the Rho transcription termination factor in complex with… · 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

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