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MolNFT v1 · #189665 · protein + DNA + RNA

Cryo-EM structure of streptomyces coelicolor transcription initial complex with one zur dimer

7VPZ · DNA-directed RNA polymerase subunit alpha: “Cryo-EM structure of streptomyces coelicolor transcription initial complex with one zur dimer”. Electron microscopy, 2 ligands (ZN, MG), 20 pockets (best druggability 0.85). MolNFT v1…

PDB
7VPZ
Type
protein + DNA + RNA
Length
3,647 residues
Chains
11
Method
electron microscopy
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
A0A6G2M9E1, Q9L0L0, Q8CJT1, Q9KXS1, P18183, Q9L2H5
Ligands
ZN, MG
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 10 distinct chains · 37% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22619% helix, 35% strandA0A6G2M9E1
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein23322% helix, 38% strandA0A6G2M9E1
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein111627% helix, 24% strandQ9L0L0
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein125944% helix, 12% strandQ8CJT1
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7748% helix, 4% strandQ9KXS1
FRNA polymerase principal sigma factor hrdbprotein30166% helix, 2% strandP18183
M, NPutative metal uptake regulation proteinprotein13142% helix, 18% strandQ9L2H5
ODNA (84-mer)dna84——
PDNA (84-mer)dna84——
QRNArna5——

Ligands and binding sites

  • ZN · Zinc ion · metal · 8 copies · chains D, M, N
  • MG · Magnesium ion · metal · chains D, Q

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
14750.850.9270empty
211560.830.84124empty
38890.810.8373empty
47070.810.8682empty
51490.780.9517empty

Interfaces

25 interfaces between chains.

  • C–D · 8357 Ų buried · 111 hydrogen bonds · protein-protein
  • O–P · 3307 Ų buried · 323 hydrogen bonds · nucleic-nucleic
  • D–F · 2635 Ų buried · 38 hydrogen bonds · protein-protein
  • A–B · 2347 Ų buried · 10 hydrogen bonds · protein-protein
  • D–E · 2080 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 7VPZ · Cryo-EM structure of Streptomyces coelicolor transcription initial complex with one Zur… · the same entry in another collection · chain P against P, TM-score 1.00
  • Q9L0L0 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta (Q9L0L0) · a predicted model of the same protein · chain C against A, TM-score 0.99

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