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Structure of liprin-ALPHA3 in complex with MDIA1 diaphanous- inhibitory domain

Analyse Structure of liprin-ALPHA3 in complex with MDIA1 diaphanous- inhibitory domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4UWX
Type
protein
Length
495 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein diaphanous homolog 1; Liprin-alpha-3
UniProt
O08808, P60469
Ligands
NI
Pockets
6 · best druggability 0.53

Structure

x-ray diffraction · 4 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein diaphanous homolog 1protein23476% helix, 0% strandO08808
BProtein diaphanous homolog 1protein23077% helix, 0% strandO08808
CLiprin-alpha-3protein1587% helix, 0% strandP60469
DLiprin-alpha-3protein1688% helix, 0% strandP60469

Ligands and binding sites

  • NI · Nickel (II) ion · metal · 2 copies · chains A, B
  • 144 · Tris-hydroxymethyl-methyl-ammonium · additive · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11330.530.8121NI, 144
22070.500.7631empty
3910.400.7716empty
4750.340.7514empty
5750.330.7519empty

Interfaces

3 interfaces between chains.

  • A–B · 776 Ų buried · 13 hydrogen bonds · protein-protein
  • B–D · 642 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 602 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 4UWX · Structure of liprin-alpha3 in complex with mDia1 Diaphanous- inhibitory domain · the same entry in another collection · chain D against D, TM-score 1.00
  • O08808 · AlphaFold monomer V2.0 prediction for protein diaphanous homolog 1 (O08808) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P60469 · AlphaFold monomer V2.0 prediction for liprin-alpha-3 (P60469) · a predicted model of the same protein · chain C against A, TM-score 0.90

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