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MolNFT v1 · #169155 · protein + DNA + RNA

Mfd-bound E.COLI RNA polymerase elongation complex - L2 state

6X2F · Transcription-repair-coupling factor: “Mfd-bound E.COLI RNA polymerase elongation complex - L2 state”. Electron microscopy, 3 ligands (ADP, ZN, MG), 20 pockets (best druggability 0.85). MolNFT v1 #169155 on GenesisL1: 3D structure…

PDB
6X2F
Type
protein + DNA + RNA
Length
4,429 residues
Chains
9
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcription-repair-coupling factor; DNA-directed RNA polymerase subunit alpha…
EC
3.6.4.-, 2.7.7.6
UniProt
A0A024L3Y3, A0A073G207, P0A8V4, A0A4S1NBU2, P0A802
Ligands
ADP, ZN, MG
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 9 distinct chains · 32% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscription-repair-coupling factor (EC 3.6.4.-)protein114436% helix, 17% strandA0A024L3Y3
GDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22419% helix, 36% strandA0A073G207
HDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein21720% helix, 38% strandA0A073G207
IDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein131629% helix, 24% strandP0A8V4
JDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein133635% helix, 17% strandA0A4S1NBU2
KDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7961% helix, 0% strandP0A802
RRNA (20-mer)rna9——
PDNA (64-mer)dna55——
QDNA (64-mer)dna49——

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • ZN · Zinc ion · metal · 2 copies · chains J
  • MG · Magnesium ion · metal · chains J, R

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
110460.850.86126empty
29570.840.8697empty
35590.810.8763empty
44610.800.8846empty
54370.800.8863empty

Interfaces

19 interfaces between chains.

  • I–J · 8223 Ų buried · 95 hydrogen bonds · protein-protein
  • G–H · 2206 Ų buried · 13 hydrogen bonds · protein-protein
  • P–Q · 2109 Ų buried · 210 hydrogen bonds · nucleic-nucleic
  • G–I · 1812 Ų buried · 18 hydrogen bonds · protein-protein
  • J–K · 1267 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6X2F · Mfd-bound E.coli RNA polymerase elongation complex - L2 state · the same entry in another collection · chain Q against Q, TM-score 1.00
  • P0A802 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit omega (P0A802) · a predicted model of the same protein · chain K against A, TM-score 0.93

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