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MolNFT v1 · #157647 · protein + DNA

Escherichia COLI RNA polymerase SIGMA70-holoenzyme bound to upstream fork promoter DNA

6N62 · DNA-directed RNA polymerase subunit alpha: “Escherichia COLI RNA polymerase SIGMA70-holoenzyme bound to upstream fork promoter DNA”. X-ray diffraction, 2 ligands (ZN, MG), 20 pockets (best druggability 0.81). MolNFT v1 #157647 on…

PDB
6N62
Type
protein + DNA
Length
3,611 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-directed RNA polymerase subunit alpha; DNA-directed RNA polymerase subunit beta…
EC
2.7.7.6
UniProt
P0A7Z6, P0A8V4, P0A8T8, P0A802, Q0P6L9
Ligands
ZN, MG
Pockets
20 · best druggability 0.81

Structure

x-ray diffraction · 8 distinct chains · 36% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22819% helix, 32% strandP0A7Z6
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein21718% helix, 27% strandP0A7Z6
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein133730% helix, 20% strandP0A8V4
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein122638% helix, 13% strandP0A8T8
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7957% helix, 0% strandP0A802
FRNA polymerase sigma factor rpodprotein47157% helix, 2% strandQ0P6L9
NNon-template strand DNAdna29——
TTemplate strand DNAdna24——

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains D
  • MG · Magnesium ion · metal · chains 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
111620.810.82112empty
27690.810.8574empty
38540.800.8299empty
45070.780.8564empty
510170.770.7995empty

Interfaces

13 interfaces between chains.

  • C–D · 8316 Ų buried · 121 hydrogen bonds · protein-protein
  • D–F · 2659 Ų buried · 28 hydrogen bonds · protein-protein
  • C–F · 2116 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 1831 Ų buried · 25 hydrogen bonds · protein-protein
  • A–B · 1781 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 6N62 · Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA · the same entry in another collection · chain T against T, 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 0.97
  • P0A7Z6 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit alpha (P0A7Z6) · a predicted model of the same protein · chain B against A, TM-score 0.95
  • P0A802 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit omega (P0A802) · a predicted model of the same protein · chain E against A, TM-score 0.92

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