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Tandem repeat of amyloid-related segment of alphab-crystallin residues 90-100 mutant V91L

Analyse Tandem repeat of amyloid-related segment of alphab-crystallin residues 90-100… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3SGR
Type
protein
Length
149 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tandem repeat of amyloid-related segment of alphab- crystallin residues 90-100 mutant V91L
UniProt
P02511
Pockets
2 · best druggability 0.47

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 82% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, D, E, FTandem repeat of amyloid-related segment of alphab- crystallin residues 90-100 mutant V91Lprotein250% helix, 80% strandP02511
CTandem repeat of amyloid-related segment of alphab- crystallin residues 90-100 mutant V91Lprotein240% helix, 83% strandP02511

Ligands and binding sites

  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A, D, E, F, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11080.470.7915MPD
2730.310.7419empty

Interfaces

12 interfaces between chains.

  • A–C · 537 Ų buried · 8 hydrogen bonds · protein-protein
  • A–D · 476 Ų buried · 9 hydrogen bonds · protein-protein
  • E–F · 465 Ų buried · 6 hydrogen bonds · protein-protein
  • C–D · 455 Ų buried · 9 hydrogen bonds · protein-protein
  • B–E · 444 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 3SGR · Tandem repeat of amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L · the same entry in another collection · chain F against F, TM-score 1.00
  • P02511 · AlphaFold monomer V2.0 prediction for alpha-crystallin B chain (P02511) · a predicted model of the same protein · chain B against A, TM-score 0.37

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