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MolNFT v1 · #182219 · protein + DNA

Cryo-EM structure of escherichia COLI RNA polymerase bound to lambda pr promoter DNA (class 1)

7MKD · DNA-directed RNA polymerase subunit alpha: “Cryo-EM structure of escherichia COLI RNA polymerase bound to lambda pr promoter DNA (class 1)”. Electron microscopy, 3 ligands (1N7, ZN, MG), 20 pockets (best druggability 0.86). MolNFT…

PDB
7MKD
Type
protein + DNA
Length
3,894 residues
Chains
9
Method
electron microscopy
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
A0A073G207, P0A8V4, A0A4S1NBU2, P0A802, Q0P6L9
Ligands
1N7, ZN, MG
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 9 distinct chains · 36% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
GDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein23321% helix, 32% strandA0A073G207
HDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22319% helix, 32% strandA0A073G207
IDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein134029% helix, 22% strandP0A8V4
JDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein133636% helix, 17% strandA0A4S1NBU2
KDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7959% helix, 0% strandP0A802
LRNA polymerase sigma factor rpodprotein47466% helix, 1% strandQ0P6L9
PNontemplate strand of lambda pr promoter DNAdna68——
QTemplate strand of lambda pr promoter DNAdna68——
RDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein7351% helix, 3% strandA0A073G207

Ligands and binding sites

  • 1N7 · Chapso · ligand · 3 copies · chains I, G, J, L, Q
  • ZN · Zinc ion · metal · 2 copies · chains J
  • MG · Magnesium ion · metal · chains J

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
18350.860.88105empty
210660.850.86105empty
39980.840.8593empty
46850.760.82691N7
53970.750.8549empty

Interfaces

19 interfaces between chains.

  • I–J · 8026 Ų buried · 77 hydrogen bonds · protein-protein
  • J–L · 2663 Ų buried · 13 hydrogen bonds · protein-protein
  • I–L · 2483 Ų buried · 14 hydrogen bonds · protein-protein
  • P–Q · 2477 Ų buried · 175 hydrogen bonds · nucleic-nucleic
  • G–H · 2107 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7MKD · Cryo-EM structure of Escherichia coli RNA polymerase bound to lambda PR promoter DNA… · the same entry in another collection · chain R against R, TM-score 1.00
  • P0A802 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit omega (P0A802) · a predicted model of the same protein · chain K against A, TM-score 0.94

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