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MolNFT v1 · #190456 · protein + DNA

Cryo-EM structure of streptomyces coelicolor rnap-promoter open complex with three zur dimers

7X75 · DNA-directed RNA polymerase subunit alpha: “Cryo-EM structure of streptomyces coelicolor rnap-promoter open complex with three zur dimers”. Electron microscopy, 2 ligands (ZN, MG), 20 pockets (best druggability 0.84). MolNFT v1…

PDB
7X75
Type
protein + DNA
Length
4,223 residues
Chains
15
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 0.84

Structure

electron microscopy · 10 distinct chains · 38% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22619% helix, 37% strandA0A6G2M9E1
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein23323% helix, 36% strandA0A6G2M9E1
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein111627% helix, 25% 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)protein7749% helix, 6% strandQ9KXS1
FRNA polymerase principal sigma factor hrdbprotein30167% helix, 1% strandP18183
G, H, K, L, M, NPutative metal uptake regulation proteinprotein13141% helix, 21% strandQ9L2H5
ODNA (84-mer)dna84——
SDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein5767% helix, 4% strandA0A6G2M9E1
PDNA (84-mer)dna84——

Ligands and binding sites

  • ZN · Zinc ion · metal · 20 copies · chains D, G, H, K, L, M, N
  • MG · Magnesium ion · metal · chains D

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
110290.840.85122empty
25530.800.8653empty
311000.790.8191empty
44640.780.8672empty
52860.770.8952empty

Interfaces

35 interfaces between chains.

  • C–D · 8341 Ų buried · 106 hydrogen bonds · protein-protein
  • O–P · 3268 Ų buried · 313 hydrogen bonds · nucleic-nucleic
  • D–F · 2664 Ų buried · 33 hydrogen bonds · protein-protein
  • A–B · 2420 Ų buried · 8 hydrogen bonds · protein-protein
  • C–F · 2065 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 7X75 · Cryo-EM structure of Streptomyces coelicolor RNAP-promoter open complex with three Zur… · the same entry in another collection · chain P against P, TM-score 1.00

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