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Crystal structure of the third PDZ domain from the synaptic protein psd-95 with incorporated azidohomoalanine

Analyse Crystal structure of the third PDZ domain from the synaptic protein psd-95 with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5MZ7
Type
protein
Length
393 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Disks large homolog 4
UniProt
P31016
Pockets
4 · best druggability 0.66

Structure

x-ray diffraction · 3 distinct chains · 22% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDisks large homolog 4protein10019% helix, 33% strandP31016
CDisks large homolog 4protein9724% helix, 36% strandP31016
DDisks large homolog 4protein9622% helix, 36% strandP31016

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16310.660.7664empty
21120.470.7928empty
31130.390.7521empty
4710.350.7616empty

Interfaces

5 interfaces between chains.

  • A–B · 544 Ų buried · 4 hydrogen bonds · protein-protein
  • B–D · 333 Ų buried · 1 hydrogen bond · protein-protein
  • B–C · 317 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 270 Ų buried · 2 hydrogen bonds · protein-protein
  • A–D · 226 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 4 modified (nonstandard).

Compared structures

  • 5MZ7 · Crystal Structure of the third PDZ domain from the synaptic protein PSD-95 with… · the same entry in another collection · chain D against D, TM-score 1.00
  • P31016 · AlphaFold monomer V2.0 prediction for disks large homolog 4 (P31016) · a predicted model of the same protein · chain D against A, TM-score 0.95

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