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Crystal structure of the mlle domain of POLY(A)-binding protein in complex with the binding region of PAIP2

Analyse Crystal structure of the mlle domain of POLY(A)-binding protein in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3KUS
Type
protein
Length
177 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polyadenylate-binding protein 1; PAIP2 protein
UniProt
P11940, Q6FID7
Pockets
1 · best druggability 0.30

Structure

x-ray diffraction · 4 distinct chains · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APolyadenylate-binding protein 1protein8287% helix, 0% strandP11940
BPolyadenylate-binding protein 1protein7081% helix, 0% strandP11940
CPAIP2 proteinprotein110% helix, 0% strandQ6FID7
DPAIP2 proteinprotein140% helix, 0% strandQ6FID7

Ligands and binding sites

  • GOL · Glycerol · additive · chains A, B
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1650.300.7411empty

Interfaces

3 interfaces between chains.

  • B–D · 722 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 638 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 509 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 3KUS · Crystal structure of the MLLE domain of poly(A)-binding protein in complex with the… · the same entry in another collection · chain D against D, TM-score 1.00
  • P11940 · AlphaFold monomer V2.0 prediction for polyadenylate-binding protein 1 (P11940) · a predicted model of the same protein · chain A against A, TM-score 0.97

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