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Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-oh RNA of 9 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
6KOP
Type
protein + DNA + RNA
Length
3,133 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 0.85

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)protein21820% helix, 40% strandP9WGZ1
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22720% helix, 38% strandP9WGZ1
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein113825% helix, 26% strandP9WGY9
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein126345% helix, 13% strandP9WGY7
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7544% helix, 5% strandP9WGY5
FEcf RNA polymerase sigma factor sighprotein15972% helix, 0% strandP9WGH9
GDNA (5'- D(*TP*TP*GP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP* a)-3')dna23——
HDNA (5'- D(*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*GP*TP*G)- 3')dna21——
IRNA (5'-R(*CP*AP*CP*CP*CP*UP*CP*GP*A)-3')rna9——

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
17400.850.8994empty
210760.830.85119empty
38860.820.8580empty
49220.810.83102empty
53810.800.8959empty

Interfaces

18 interfaces between chains.

  • C–D · 8329 Ų buried · 96 hydrogen bonds · protein-protein
  • D–E · 2127 Ų buried · 24 hydrogen bonds · protein-protein
  • A–C · 2089 Ų buried · 32 hydrogen bonds · protein-protein
  • A–B · 1969 Ų buried · 10 hydrogen bonds · protein-protein
  • C–F · 1684 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 6KOP · Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-OH RNA… · the same entry in another collection · chain B against B, 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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