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Crystal structure of mtb sigma L transcription initiation complex with 9 nt long RNA primer

Analyse Crystal structure of mtb sigma L transcription initiation complex with 9 nt… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6TYG
Type
protein + DNA + RNA
Length
3,113 residues
Chains
9
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA polymerase sigma factor; DNA (5'- D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*AP*TP*CP*GP*AP*GP*G…
EC
2.7.7.6
UniProt
A0A045IR27, A5U8D3, P9WGY8, A0A045J9E2, A0A045H2R3
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 9 distinct chains · 36% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
FRNA polymerase sigma factorprotein14769% helix, 1% strandA0A045IR27
GDNA (5'- D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*AP*TP*CP*GP*AP*GP*GP*GP*TP*G)-3')dna20——
HDNA (5'- D(P*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP *C)-3')dna23——
IRNA (5'-R(P*CP*AP*CP*CP*CP*UP*CP*GP*A)-3')rna9——
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22521% helix, 40% strandA5U8D3
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein23222% helix, 38% strandA5U8D3
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein111427% helix, 28% strandP9WGY8
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein126245% helix, 14% strandA0A045J9E2
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein8146% helix, 1% strandA0A045H2R3

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17940.850.8894empty
210560.820.83108empty
35840.820.8774empty
45410.810.8766empty
53690.770.8734empty

Interfaces

20 interfaces between chains.

  • C–D · 8220 Ų buried · 111 hydrogen bonds · protein-protein
  • A–B · 2497 Ų buried · 15 hydrogen bonds · protein-protein
  • D–E · 2252 Ų buried · 26 hydrogen bonds · protein-protein
  • A–C · 2170 Ų buried · 31 hydrogen bonds · protein-protein
  • F–C · 1307 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 6TYG · Crystal structure of MTB sigma L transcription initiation complex with 9 nt long RNA… · the same entry in another collection · chain A against A, TM-score 1.00
  • P9WGY8 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta (P9WGY8) · a predicted model of the same protein · chain C against A, TM-score 0.99
  • A5U8D3 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit alpha (A5U8D3) · a predicted model of the same protein · chain A against A, TM-score 0.94

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