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Crystal structure of the RNA polymerase domain (rpd) of mycobacterium tuberculosis primase dnag in complex with a double-stranded DNA oligomer with a 6-nucleotide overhang

Analyse Crystal structure of the RNA polymerase domain (rpd) of mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5W36
Type
protein + DNA
Length
645 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA primase; Synthetic DNA 5'-tatcgtcccgcctc
EC
2.7.7.-
UniProt
P9WNW1
Ligands
SR
Pockets
8 · best druggability 0.71

Structure

x-ray diffraction · 3 distinct chains · 46% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA primase (EC 2.7.7.-)protein32146% helix, 17% strandP9WNW1
BDNA primase (EC 2.7.7.-)protein32246% helix, 17% strandP9WNW1
GSynthetic DNA 5'-tatcgtcccgcctcdna2——

Ligands and binding sites

  • SR · Strontium ion · metal · chains A, G

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

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17200.710.7765empty
22990.570.7739empty
32500.570.7829empty
41380.500.7921empty
5750.350.7616empty

Interfaces

2 interfaces between chains.

  • A–B · 762 Ų buried · 6 hydrogen bonds · protein-protein
  • A–G · 289 Ų buried · 9 hydrogen bonds · protein-nucleic

Compared structures

  • 5W36 · Crystal structure of the RNA polymerase domain (RPD) of Mycobacterium tuberculosis… · the same entry in another collection · chain A against A, TM-score 1.00
  • P9WNW1 · AlphaFold monomer V2.0 prediction for DNA primase (P9WNW1) · a predicted model of the same protein · chain B against A, TM-score 0.99

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