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MolNFT v1 · #154553 · protein

Cryo-EM structure of thermococcus kodakarensis RNA polymerase

6KF3 · DNA-directed RNA polymerase subunit: “Cryo-EM structure of thermococcus kodakarensis RNA polymerase”. Electron microscopy, 2 ligands (ZN, MG), 20 pockets (best druggability 0.84). MolNFT v1 #154553 on GenesisL1: 3D structure…

PDB
6KF3
Type
protein
Length
3,297 residues
Chains
11
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-directed RNA polymerase subunit; DNA-directed RNA polymerase subunit beta…
EC
2.7.7.6
UniProt
Q5JE33, Q5JE32, Q5JE34, Q5JJF4, Q5JIY4, Q5JI52, Q5JE31, Q5JJD0, Q5JE88, Q5JJC9, Q5JDM8
Ligands
ZN, MG
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 11 distinct chains · 29% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase subunit (EC 2.7.7.6)protein90033% helix, 12% strandQ5JE33
BDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein111425% helix, 19% strandQ5JE32
CDNA-directed RNA polymerase subunit a'' (EC 2.7.7.6)protein38834% helix, 6% strandQ5JE34
DDNA-directed RNA polymerase subunit D (EC 2.7.7.6)protein25726% helix, 39% strandQ5JJF4
EDNA-directed RNA polymerase, subunit Eprotein18110% helix, 45% strandQ5JIY4
FDNA-directed RNA polymerase, subunit Fprotein12254% helix, 6% strandQ5JI52
HDNA-directed RNA polymerase subunit H (EC 2.7.7.6)protein7613% helix, 30% strandQ5JE31
KDNA-directed RNA polymerase subunit K (EC 2.7.7.6)protein5643% helix, 4% strandQ5JJD0
LDNA-directed RNA polymerase subunit L (EC 2.7.7.6)protein9438% helix, 27% strandQ5JE88
NDNA-directed RNA polymerase subunit N (EC 2.7.7.6)protein6535% helix, 0% strandQ5JJC9
PDNA-directed RNA polymerase subunit P (EC 2.7.7.6)protein440% helix, 25% strandQ5JDM8

Ligands and binding sites

  • ZN · Zinc ion · metal · 5 copies · chains A, B, N, P
  • MG · Magnesium ion · metal · chains A

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
111990.840.85149empty
21660.780.9444empty
35500.770.8464empty
49710.760.7994empty
54070.750.8550empty

Interfaces

24 interfaces between chains.

  • A–B · 8800 Ų buried · 83 hydrogen bonds · protein-protein
  • A–C · 5063 Ų buried · 24 hydrogen bonds · protein-protein
  • E–F · 2136 Ų buried · 15 hydrogen bonds · protein-protein
  • D–L · 1698 Ų buried · 6 hydrogen bonds · protein-protein
  • B–D · 1613 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 6KF3 · Cryo-EM structure of Thermococcus kodakarensis RNA polymerase · the same entry in another collection · chain P against P, TM-score 1.00
  • Q5JJF4 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit D (Q5JJF4) · a predicted model of the same protein · chain D against A, TM-score 0.96

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