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MolNFT v1 · #139010 · protein + DNA + RNA

Crystal structure of thermus thermophilus transcription initiation complex with gpa and pseudouridimycin (pum)

5X21: “Crystal structure of thermus thermophilus transcription initiation complex with gpa and pseudouridimycin (pum)”. X-ray diffraction, 3 ligands (PUM, MG, ZN). MolNFT v1 #139010 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5X21
Type
protein + DNA + RNA
Length
3,543 residues
Chains
9
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q9Z9H6, Q8RQE9, Q8RQE8, Q72ID6, Q72L95
Ligands
PUM, MG, ZN

Structure

x-ray diffraction · 9 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein226—Q9Z9H6
B—protein222—Q9Z9H6
C—protein1111—Q8RQE9
D—protein1496—Q8RQE8
E—protein94—Q72ID6
F—protein346—Q72L95
G—dna19——
H—dna27——
I—rna2——

Ligands and binding sites

  • PUM · (1S)-1,4-anhydro-5-[(N-carbamimidoylglycyl-N~2~-hydroxy-L-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2, 3,4-tetrahydropyrimidin-5-yl)-D-ribitol · ligand · chains C, D, G, I
  • MG · Magnesium ion · metal · 6 copies · chains A, C, B, D, I, F, H
  • ZN · Zinc ion · metal · 2 copies · chains D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 5X21 · Crystal structure of Thermus thermophilus transcription initiation complex with GpA and… · the same entry in another collection · chain H against H, TM-score 1.00
  • Q9Z9H6 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit alpha (Q9Z9H6) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • Q72L95 · AlphaFold monomer V2.0 prediction for RNA polymerase sigma factor siga (Q72L95) · a predicted model of the same protein · chain F against A, TM-score 0.97
  • Q72ID6 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit omega (Q72ID6) · a predicted model of the same protein · chain E against A, TM-score 0.97

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