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Escherichia COLI RNA polymerase and RRNBP1 promoter open complex

Analyse Escherichia COLI RNA polymerase and RRNBP1 promoter open complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7KHB
Type
protein + DNA
Length
3,812 residues
Chains
8
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
P0A7Z4, P0A8V2, P0A8T7, P0A800, P00579
Ligands
1N7, ZN, MG
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 8 distinct chains · 38% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein23124% helix, 39% strandP0A7Z4
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein23021% helix, 41% strandP0A7Z4
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein134033% helix, 23% strandP0A8V2
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein134037% helix, 16% strandP0A8T7
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7661% helix, 0% strandP0A800
FRNA polymerase sigma factor rpodprotein47169% helix, 1% strandP00579
XDNA (60-mer)dna60——
YDNA (64-mer)dna64——

Ligands and binding sites

  • 1N7 · Chapso · ligand · 2 copies · chains A, C
  • 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
110540.830.85105empty
211030.830.8499empty
35250.820.8953empty
48320.790.82881N7
57020.770.8252empty

Interfaces

16 interfaces between chains.

  • C–D · 7997 Ų buried · 89 hydrogen bonds · protein-protein
  • D–F · 2560 Ų buried · 19 hydrogen bonds · protein-protein
  • X–Y · 2219 Ų buried · 178 hydrogen bonds · nucleic-nucleic
  • A–B · 2039 Ų buried · 16 hydrogen bonds · protein-protein
  • C–F · 1984 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 7KHB · Escherichia coli RNA polymerase and rrnBP1 promoter open complex · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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