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Crystal structure of ovine serum albumin

Analyse Crystal structure of ovine serum albumin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4LUF
Type
protein
Length
583 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Serum albumin
UniProt
P14639
Ligands
2Q5, LMR
Pockets
8 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 76% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASerum albuminprotein58376% helix, 0% strandP14639

Ligands and binding sites

  • 2Q5 · (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol · ligand · 3 copies · chains A
  • LMR · (2S)-2-hydroxybutanedioic acid · ligand · chains A
  • SIN · Succinic acid · additive · 3 copies · chains A
  • MLI · Malonate ion · additive · 2 copies · chains A
  • ACT · Acetate ion · additive · chains A
  • FMT · Formic acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15450.790.85432Q5
29600.780.8066LMR, SIN
31240.700.9025SIN
41900.600.82212Q5
5520.580.9115ACT

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

  • 4LUF · Crystal Structure of Ovine Serum Albumin · the same entry in another collection · chain A against A, TM-score 1.00
  • P14639 · AlphaFold monomer V2.0 prediction for albumin (P14639) · a predicted model of the same protein · chain A against A, TM-score 0.98

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