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MolNFT v1 · #172783 · protein + DNA + RNA

Transcription termination complex iva

7ADE · Transcription termination factor rho: “Transcription termination complex iva”. Electron microscopy, 4 ligands (ADP, BEF, MG), 20 pockets (best druggability 0.87). MolNFT v1 #172783 on GenesisL1: 3D structure, binding sites and…

PDB
7ADE
Type
protein + DNA + RNA
Length
6,407 residues
Chains
15
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcription termination factor rho; Transcription TERMINATION/ANTITERMINATION protein…
EC
3.6.4.-, 2.7.7.6
UniProt
A0A0A0GPI6, C3SSN7, P0A7Z4, P0A800, P0A8V4, C3SIA2
Ligands
ADP, BEF, MG, ZN
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 10 distinct chains · 33% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
f, a, b, c, d, eTranscription termination factor rho (EC 3.6.4.-)protein41740% helix, 20% strandA0A0A0GPI6
ATranscription TERMINATION/ANTITERMINATION protein nusaprotein49532% helix, 13% strandC3SSN7
UDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein23520% helix, 32% strandP0A7Z4
VDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein32127% helix, 22% strandP0A7Z4
WDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7967% helix, 0% strandP0A800
XDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein134031% helix, 19% strandP0A8V4
YDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein134334% helix, 14% strandC3SIA2
LTdnadna37——
KNtdnadna23——
RRut RNArna32——

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 5 copies · chains f, a, b, c, d, e
  • BEF · Beryllium trifluoride ion · ligand · 5 copies · chains f, a, b, c, d, e
  • MG · Magnesium ion · metal · 6 copies · chains a, b, c, d, e, Y
  • ZN · Zinc ion · metal · 2 copies · chains Y

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110740.870.88128empty
26410.820.8790empty
310990.820.83117ADP, MG, BEF
46440.790.8573ADP, MG, BEF
57000.790.8477ADP, MG, BEF

Interfaces

37 interfaces between chains.

  • X–Y · 8377 Ų buried · 90 hydrogen bonds · protein-protein
  • U–V · 2415 Ų buried · 20 hydrogen bonds · protein-protein
  • U–X · 1913 Ų buried · 22 hydrogen bonds · protein-protein
  • d–e · 1795 Ų buried · 22 hydrogen bonds · protein-protein
  • b–c · 1733 Ų buried · 23 hydrogen bonds · protein-protein

Analyse

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