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Atomic structure of the poxvirus initially transcribing complex in conformation 3

Analyse Atomic structure of the poxvirus initially transcribing complex in conformation… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7AP9
Type
protein + DNA + RNA
Length
3,793 residues
Chains
11
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-directed RNA polymerase 147 kda polypeptide; DNA-directed RNA polymerase…
EC
2.7.7.6
UniProt
Q1PIV1, Q49PH2, Q49PG1, A4GDF1, Q49QC8, Q49PL6, Q1PIU7, Q49QI2, H2DZ00
Ligands
ZN, MG
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 11 distinct chains · 36% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase 147 kda polypeptide (EC 2.7.7.6)protein126841% helix, 15% strandQ1PIV1
BDNA-directed RNA polymerase (EC 2.7.7.6)protein112932% helix, 24% strandQ49PH2
CDNA-directed RNA polymerase 35 kda subunit (EC 2.7.7.6)protein30438% helix, 21% strandQ49PG1
EDNA-directed RNA polymerase subunit (EC 2.7.7.6)protein18423% helix, 24% strandA4GDF1
FDNA-directed RNA polymerase 19 kda subunit (EC 2.7.7.6)protein10359% helix, 7% strandQ49QC8
GDNA-directed RNA polymerase 18 kda subunit (EC 2.7.7.6)protein15310% helix, 54% strandQ49PL6
IProtein H4protein46433% helix, 17% strandQ1PIU7
JDNA-directed RNA polymerase 7 kda subunit (EC 2.7.7.6)protein6136% helix, 8% strandQ49QI2
PRNA (5'-R(P*AP*UP*AP*AP*A)-3')rna5——
SDNA-directed RNA polymerase 30 kda polypeptide (EC 2.7.7.6)protein11648% helix, 1% strandH2DZ00
TSynthetic promoter DNA oligomer, template stranddna6——

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, B, I
  • 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
110860.880.89145empty
27030.860.9170empty
36280.850.8985empty
49090.840.8680empty
57880.790.8294empty

Interfaces

25 interfaces between chains.

  • A–B · 9535 Ų buried · 119 hydrogen bonds · protein-protein
  • B–I · 4132 Ų buried · 26 hydrogen bonds · protein-protein
  • A–I · 3601 Ų buried · 40 hydrogen bonds · protein-protein
  • A–S · 3342 Ų buried · 33 hydrogen bonds · protein-protein
  • A–E · 2706 Ų buried · 28 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7AP9 · Atomic structure of the poxvirus initially transcribing complex in conformation 3 · the same entry in another collection · chain A against A, TM-score 1.00

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