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Cryo-EM structure of bacillus subtilis RNA polymerase in complex with held

Analyse Cryo-EM structure of bacillus subtilis RNA polymerase in complex with held in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6WVK
Type
protein
Length
3,631 residues
Chains
7
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, 3.6.4.12
UniProt
P20429, P37870, P37871, O31718, O35011, O32215
Ligands
ZN, MG
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 6 distinct chains · 34% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22423% helix, 44% strandP20429
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein109923% helix, 27% strandP37870
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein118439% helix, 14% strandP37871
EUPF0356 protein ykzgprotein6925% helix, 32% strandO31718
FDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein6154% helix, 3% strandO35011
HDNA helicase IV (EC 3.6.4.12)protein77045% helix, 15% strandO32215

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
17560.850.8897empty
211110.840.85136empty
36760.810.8570empty
47250.800.84114empty
55270.780.8567empty

Interfaces

14 interfaces between chains.

  • C–D · 7425 Ų buried · 73 hydrogen bonds · protein-protein
  • D–H · 3951 Ų buried · 17 hydrogen bonds · protein-protein
  • D–F · 1641 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 1629 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 1548 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 6WVK · Cryo-EM structure of Bacillus subtilis RNA Polymerase in complex with HelD · the same entry in another collection · chain H against H, TM-score 1.00
  • P37870 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta (P37870) · a predicted model of the same protein · chain C against A, TM-score 0.96
  • O31718 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit epsilon (O31718) · a predicted model of the same protein · chain E against A, TM-score 0.95
  • P20429 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit alpha (P20429) · a predicted model of the same protein · chain A against A, TM-score 0.91
  • O35011 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit omega (O35011) · a predicted model of the same protein · chain F against A, TM-score 0.91
  • P37871 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta' (P37871) · a predicted model of the same protein · chain D against A, TM-score 0.84

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