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Crystal structure of T161S duck delta 2 crystallin mutant

Analyse Crystal structure of T161S duck delta 2 crystallin mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1TJU
Type
protein
Length
1,797 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Delta crystallin II
EC
4.3.2.1
UniProt
P24058
Pockets
20 · best druggability 0.79

Structure

x-ray diffraction · 3 distinct chains · 68% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADelta crystallin II (EC 4.3.2.1)protein44867% helix, 7% strandP24058
B, CDelta crystallin II (EC 4.3.2.1)protein45068% helix, 7% strandP24058
DDelta crystallin II (EC 4.3.2.1)protein44968% helix, 5% strandP24058

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18870.790.8277empty
210660.770.7989empty
3790.770.9918empty
4770.760.9918empty
57750.750.8063empty

Interfaces

6 interfaces between chains.

  • B–D · 3847 Ų buried · 64 hydrogen bonds · protein-protein
  • A–C · 3797 Ų buried · 65 hydrogen bonds · protein-protein
  • B–C · 1865 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 1825 Ų buried · 19 hydrogen bonds · protein-protein
  • A–D · 1821 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 1TJU · Crystal Structure of T161S Duck Delta 2 Crystallin Mutant · the same entry in another collection · chain D against D, TM-score 1.00
  • P24058 · AlphaFold monomer V2.0 prediction for argininosuccinate lyase (P24058) · a predicted model of the same protein · chain D against A, TM-score 1.00

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