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E. COLI transcription initiation complex - 17-bp spacer and 4-nt RNA

Analyse E. COLI transcription initiation complex - 17-bp spacer and 4-nt RNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4YLN
Type
protein + DNA + RNA
Length
11,550 residues
Chains
27
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
A7ZSI4, A7ZUK1, A7ZUK2, A7ZTK1, P00579
Ligands
ZN, MG
Pockets
20 · best druggability 0.87

Structure

x-ray diffraction · 9 distinct chains · 40% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, G, MDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein23024% helix, 39% strandA7ZSI4
B, H, NDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22824% helix, 38% strandA7ZSI4
C, I, ODNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein134132% helix, 24% strandA7ZUK1
D, J, PDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein136238% helix, 17% strandA7ZUK2
E, K, QDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein9072% helix, 0% strandA7ZTK1
F, L, RRNA polymerase sigma factor rpodprotein49770% helix, 1% strandP00579
1, 4, 7Nt strand DNA (49-mer)dna49——
2, 5, 8T strand DNA (49-mer)dna49——
3, 6, 9RNA (5'-D(*(GTP))-R(P*AP*GP*U)-3')rna4——

Ligands and binding sites

  • ZN · Zinc ion · metal · 6 copies · chains D, J, P
  • MG · Magnesium ion · metal · 3 copies · chains D, 3, I, 6, P, 9

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
111300.870.88115empty
28180.860.8994empty
37750.840.8776empty
48040.840.8795empty
56130.840.8965empty

Interfaces

68 interfaces between chains.

  • O–P · 9064 Ų buried · 102 hydrogen bonds · protein-protein
  • I–J · 8871 Ų buried · 97 hydrogen bonds · protein-protein
  • C–D · 8664 Ų buried · 110 hydrogen bonds · protein-protein
  • P–R · 3166 Ų buried · 27 hydrogen bonds · protein-protein
  • D–F · 3158 Ų buried · 30 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide, 3 modified (disulfide, nucleotide modification).

Compared structures

  • 4YLN · E. coli Transcription Initiation Complex - 17-bp spacer and 4-nt RNA · the same entry in another collection · chain F against F, TM-score 1.00

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