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MolNFT v1 · #185492 · protein + DNA + RNA

Cryoem structure of E.COLI RNA polymerase elongation complex bound to nusa and nusg (nusa and nusg elongation complex in less-swiveled conformation)

7PY6 · Ntdna: “Cryoem structure of E.COLI RNA polymerase elongation complex bound to nusa and nusg (nusa and nusg elongation…”. Electron microscopy, 2 ligands (ZN, MG), 20 pockets (best druggability 0.85). MolNFT v1 #185492 on GenesisL1…

PDB
7PY6
Type
protein + DNA + RNA
Length
3,899 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ntdna; Tdna; RNA; DNA-directed RNA polymerase subunit alpha; DNA-directed RNA polymerase…
EC
2.7.7.6
UniProt
P0A7Z4, P0A8V4, P0A8T8, P0A800, C3SID2, D7Y526
Ligands
ZN, MG
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 10 distinct chains · 32% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
NNtdnadna26——
TTdnadna30——
RRNArna11——
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22821% helix, 30% strandP0A7Z4
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22020% helix, 34% strandP0A7Z4
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein134131% helix, 21% strandP0A8V4
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein133537% helix, 16% strandP0A8T8
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein9066% helix, 0% strandP0A800
GTranscription TERMINATION/ANTITERMINATION protein nusgprotein12330% helix, 16% strandC3SID2
FTranscription TERMINATION/ANTITERMINATION protein nusaprotein49528% helix, 8% strandD7Y526

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains D
  • MG · Magnesium ion · metal · chains R, D

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
19490.850.87102empty
29720.840.8682empty
36240.820.8768empty
46520.790.8470empty
57010.780.8378empty

Interfaces

20 interfaces between chains.

  • C–D · 8324 Ų buried · 79 hydrogen bonds · protein-protein
  • A–B · 2029 Ų buried · 18 hydrogen bonds · protein-protein
  • A–C · 1950 Ų buried · 21 hydrogen bonds · protein-protein
  • D–E · 1389 Ų buried · 12 hydrogen bonds · protein-protein
  • B–D · 1106 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 7PY6 · CryoEM structure of E.coli RNA polymerase elongation complex bound to NusA and NusG (NusA… · the same entry in another collection · chain F against F, TM-score 1.00
  • P0A8T8 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta' (P0A8T8) · a predicted model of the same protein · chain D against A, TM-score 0.93

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