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MolNFT v1 · #175966 · protein + DNA

Cryoem structure of GP45-dependent transcription activation complex

7D7D · DNA-directed RNA polymerase subunit alpha: “Cryoem structure of GP45-dependent transcription activation complex”. Electron microscopy, 2 ligands (ZN, MG), 20 pockets (best druggability 0.84). MolNFT v1 #175966 on GenesisL1: 3D…

PDB
7D7D
Type
protein + DNA
Length
4,170 residues
Chains
12
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
U9ZUN7, A0A080FHH4, D7Y6A2, P13338, A0A070UPX4, P04525
Ligands
ZN, MG
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 10 distinct chains · 32% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein21919% helix, 33% strandU9ZUN7
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein21920% helix, 33% strandU9ZUN7
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein134029% helix, 21% strandA0A080FHH4
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein133534% helix, 15% strandD7Y6A2
TDNA (template strand)dna46——
FGP55protein13768% helix, 0% strand—
NDNA (nontemplate strand)dna48——
KRNA polymerase-associated protein GP33protein7159% helix, 0% strandP13338
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7156% helix, 0% strandA0A070UPX4
G, H, IDNA polymerase clampprotein22818% helix, 42% strandP04525

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains D
  • 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
19440.840.85101empty
28950.830.85117empty
39620.830.84138empty
41190.790.9726empty
510820.790.8189empty

Interfaces

29 interfaces between chains.

  • C–D · 7636 Ų buried · 85 hydrogen bonds · protein-protein
  • T–N · 1873 Ų buried · 215 hydrogen bonds · nucleic-nucleic
  • A–B · 1783 Ų buried · 20 hydrogen bonds · protein-protein
  • D–F · 1659 Ų buried · 19 hydrogen bonds · protein-protein
  • A–C · 1548 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 7D7D · CryoEM structure of gp45-dependent transcription activation complex · the same entry in another collection · chain A against A, TM-score 1.00

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