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MolNFT v1 · #13386 · protein

Thermus aquaticus RNA polymerase holoenzyme at 4 a resolution

1L9U · RNA polymerase, alpha subunit: “Thermus aquaticus RNA polymerase holoenzyme at 4 a resolution”. X-ray diffraction, 2 ligands (ZN, MG), 20 pockets (best druggability 0.73). MolNFT v1 #13386 on GenesisL1: 3D structure, binding sites…

PDB
1L9U
Type
protein
Length
6,250 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA polymerase, alpha subunit; RNA polymerase, beta subunit; RNA polymerase, beta-prime…
EC
2.7.7.6
UniProt
Q9KWU8, Q9KWU7, Q9KWU6, Q9EVV4, Q9EZJ8
Ligands
ZN, MG
Pockets
20 · best druggability 0.73

Structure

x-ray diffraction · 6 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, JRNA polymerase, alpha subunit (EC 2.7.7.6)protein2240% helix, 0% strandQ9KWU8
B, KRNA polymerase, alpha subunit (EC 2.7.7.6)protein2200% helix, 0% strandQ9KWU8
C, LRNA polymerase, beta subunit (EC 2.7.7.6)protein10840% helix, 0% strandQ9KWU7
D, MRNA polymerase, beta-prime subunit (EC 2.7.7.6)protein11830% helix, 0% strandQ9KWU6
E, NRNA polymerase, omega subunit (EC 2.7.7.6)protein920% helix, 0% strandQ9EVV4
H, QSigma factor sigaprotein3220% helix, 0% strandQ9EZJ8

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains D, M
  • MG · Magnesium ion · metal · 2 copies

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
110580.730.76159empty
211360.680.73159empty
310600.680.73168empty
46300.670.76114empty
55790.650.7692empty

Interfaces

18 interfaces between chains.

  • L–M · 1305 Ų buried · 0 hydrogen bonds · protein-protein
  • C–D · 1301 Ų buried · 0 hydrogen bonds · protein-protein
  • A–C · 296 Ų buried · 0 hydrogen bonds · protein-protein
  • J–L · 292 Ų buried · 0 hydrogen bonds · protein-protein
  • D–E · 264 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1L9U · Thermus aquaticus RNA polymerase holoenzyme at 4 a resolution · the same entry in another collection · chain H against H, TM-score 1.00

Analyse

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