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Structure of C-terminal domain from S. cerevisiae PAT1 decapping activator bound to DCP2 HLM10 peptide (region 954-970)

Analyse Structure of C-terminal domain from S. cerevisiae PAT1 decapping activator… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5LMG
Type
protein
Length
663 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA topoisomerase 2-associated protein PAT1; MRNA decapping protein 2
UniProt
P25644, B3LNX5
Ligands
MG
Pockets
7 · best druggability 0.84

Structure

x-ray diffraction · 4 distinct chains · 73% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA topoisomerase 2-associated protein PAT1protein31672% helix, 3% strandP25644
BDNA topoisomerase 2-associated protein PAT1protein32174% helix, 3% strandP25644
CMRNA decapping protein 2protein1377% helix, 0% strandB3LNX5
DMRNA decapping protein 2protein1369% helix, 0% strandB3LNX5

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · 13 copies · chains A, B
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14340.840.9262EDO, TRS
22390.780.9135EDO
3550.640.9418EDO
4550.610.9220empty
51570.500.7830empty

Interfaces

3 interfaces between chains.

  • A–B · 2182 Ų buried · 17 hydrogen bonds · protein-protein
  • A–D · 595 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 585 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 5LMG · Structure of C-terminal domain from S. cerevisiae Pat1 decapping activator bound to Dcp2… · the same entry in another collection · chain A against A, TM-score 1.00
  • P25644 · AlphaFold monomer V2.0 prediction for DNA topoisomerase 2-associated protein PAT1 (P25644) · a predicted model of the same protein · chain A against A, TM-score 0.99

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