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Structure of thermus thermophilus RNA polymerase holoenzyme in complex with the antibiotic streptolydigin

Analyse Structure of thermus thermophilus RNA polymerase holoenzyme in complex with the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1ZYR
Type
protein
Length
6,818 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-directed RNA polymerase alpha chain; DNA-directed RNA polymerase beta chain…
EC
2.7.7.6
UniProt
Q5SHR6, Q8RQE9, Q8RQE8, Q8RQE7, Q5SKW1
Ligands
STD, ZN, MG
Pockets
20 · best druggability 0.87

Structure

x-ray diffraction · 5 distinct chains · 33% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, K, LDNA-directed RNA polymerase alpha chain (EC 2.7.7.6)protein22918% helix, 28% strandQ5SHR6
C, MDNA-directed RNA polymerase beta chain (EC 2.7.7.6)protein111922% helix, 20% strandQ8RQE9
D, NDNA-directed RNA polymerase subunit beta' chain (EC 2.7.7.6)protein139235% helix, 12% strandQ8RQE8
E, ODNA-directed RNA polymerase omega chainprotein9543% helix, 3% strandQ8RQE7
F, PDNA-directed RNA polymerase sigma chainprotein34562% helix, 1% strandQ5SKW1

Ligands and binding sites

  • STD · Streptolydigin · ligand · 2 copies · chains C, D, M, N
  • ZN · Zinc ion · metal · 4 copies · chains D, N
  • MG · Magnesium ion · metal · 2 copies · chains D, N

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
111220.870.89107empty
25330.870.9363empty
39870.870.8879empty
410340.870.88110empty
58940.860.8776empty

Interfaces

20 interfaces between chains.

  • C–D · 9090 Ų buried · 118 hydrogen bonds · protein-protein
  • M–N · 8698 Ų buried · 109 hydrogen bonds · protein-protein
  • N–P · 4348 Ų buried · 58 hydrogen bonds · protein-protein
  • D–F · 4336 Ų buried · 63 hydrogen bonds · protein-protein
  • N–O · 2479 Ų buried · 39 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 1ZYR · Structure of Thermus thermophilus RNA polymerase holoenzyme in complex with the… · the same entry in another collection · chain D against D, TM-score 1.00

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