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Cryo-EM structure of the cellular negative regulator TFS4 bound to the archaeal RNA polymerase

Analyse Cryo-EM structure of the cellular negative regulator TFS4 bound to the archaeal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7OQY
Type
protein
Length
3,535 residues
Chains
14
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-directed RNA polymerase subunit a'; DNA-directed RNA polymerase subunit B…
EC
2.7.7.6
UniProt
P11512, P11513, P11514, P39471, P39466, Q4JB12, Q4JAY4, P11521, P39463, P46217, P39472, Q4JAE8, Q4JAJ6, Q97X43
Ligands
F3S, ZN, MG
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 14 distinct chains · 33% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase subunit a' (EC 2.7.7.6)protein87539% helix, 16% strandP11512
BDNA-directed RNA polymerase subunit B (EC 2.7.7.6)protein110531% helix, 26% strandP11513
CDNA-directed RNA polymerase subunit a'' (EC 2.7.7.6)protein38344% helix, 13% strandP11514
DDNA-directed RNA polymerase subunit D (EC 2.7.7.6)protein25826% helix, 35% strandP39471
EDNA-directed RNA polymerase subunit E (EC 2.7.7.6)protein18218% helix, 41% strandP39466
FDNA-directed RNA polymerase, subunit F (EC 2.7.7.6)protein10958% helix, 5% strandQ4JB12
GDNA-directed RNA polymerase, subunit G (EC 2.7.7.6)protein1220% helix, 54% strandQ4JAY4
HDNA-directed RNA polymerase subunit H (EC 2.7.7.6)protein7726% helix, 32% strandP11521
KDNA-directed RNA polymerase subunit K (EC 2.7.7.6)protein8640% helix, 13% strandP39463
LDNA-directed RNA polymerase subunit L (EC 2.7.7.6)protein9038% helix, 32% strandP46217
NDNA-directed RNA polymerase subunit N (EC 2.7.7.6)protein6647% helix, 5% strandP39472
PDNA-directed RNA polymerase subunit P (EC 2.7.7.6)protein470% helix, 32% strandQ4JAE8
QConserved proteinprotein4379% helix, 0% strandQ4JAJ6
YDNA-directed RNA polymerase, subunit M (rpom-2) (EC 2.7.7.6)protein920% helix, 37% strandQ97X43

Ligands and binding sites

  • F3S · FE3-S4 cluster · ligand · chains D
  • ZN · Zinc ion · metal · 8 copies · chains A, B, N, P, Y
  • 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
16080.800.8574empty
26540.760.8270empty
38830.730.7868empty
47360.730.7972empty
510160.720.76105empty

Interfaces

31 interfaces between chains.

  • A–B · 8266 Ų buried · 112 hydrogen bonds · protein-protein
  • A–C · 4506 Ų buried · 41 hydrogen bonds · protein-protein
  • E–F · 2124 Ų buried · 23 hydrogen bonds · protein-protein
  • D–L · 1761 Ų buried · 10 hydrogen bonds · protein-protein
  • B–N · 1734 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 7OQY · Cryo-EM structure of the cellular negative regulator TFS4 bound to the archaeal RNA… · the same entry in another collection · chain Y against Y, TM-score 1.00

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