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Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-oh RNA of 5 nt

Analyse Mycobacterium tuberculosis initial transcription complex comprising sigma H and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6KON
Type
protein + DNA + RNA
Length
3,091 residues
Chains
9
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
P9WGZ1, P9WGY9, P9WGY7, P9WGY5, P9WGH9
Ligands
ZN, MG
Pockets
20 · best druggability 0.86

Structure

x-ray diffraction · 9 distinct chains · 36% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein21621% helix, 41% strandP9WGZ1
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein23319% helix, 40% strandP9WGZ1
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein109225% helix, 26% strandP9WGY9
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein125245% helix, 14% strandP9WGY7
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7349% helix, 5% strandP9WGY5
FEcf RNA polymerase sigma factor sighprotein18073% helix, 2% strandP9WGH9
GDNA (5'- D(P*GP*TP*TP*GP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP *C)-3')dna23——
HDNA (5'- D(P*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*GP*TP*G)-3')dna17——
IRNA (5'-R(*CP*UP*CP*GP*A)-3')rna5——

Ligands and binding sites

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

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
19540.860.8894empty
210380.840.8575empty
37370.820.86100empty
48150.810.8469empty
58460.800.8292empty

Interfaces

20 interfaces between chains.

  • C–D · 8384 Ų buried · 101 hydrogen bonds · protein-protein
  • D–E · 2121 Ų buried · 17 hydrogen bonds · protein-protein
  • D–F · 2030 Ų buried · 26 hydrogen bonds · protein-protein
  • A–C · 2022 Ų buried · 33 hydrogen bonds · protein-protein
  • A–B · 2012 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 6KON · Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-OH RNA… · the same entry in another collection · chain I against I, TM-score 1.00
  • P9WGY9 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta (P9WGY9) · a predicted model of the same protein · chain C against A, TM-score 0.99
  • P9WGY5 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit omega (P9WGY5) · a predicted model of the same protein · chain E against A, TM-score 0.95
  • P9WGY7 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta' (P9WGY7) · a predicted model of the same protein · chain D against A, TM-score 0.92

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