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Human serum albumin complexed with myristate and 3,5- diiodosalicylic acid

Analyse Human serum albumin complexed with myristate and 3,5- diiodosalicylic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2BXL
Type
protein
Length
581 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Serum albumin
UniProt
P02768
Ligands
MYR, DIU
Pockets
6 · best druggability 0.88

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASerum albuminprotein58173% helix, 0% strandP02768

Ligands and binding sites

  • MYR · Myristic acid · ligand · 6 copies · chains A
  • DIU · 2-hydroxy-3,5-diiodo-benzoic acid · ligand · chains A

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111010.880.89114MYR, DIU
23610.810.9042MYR
33710.730.8326MYR
42620.710.8534MYR
51100.580.8517MYR

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

  • 2BXL · Human serum albumin complexed with myristate and 3,5-diiodosalicylic acid · the same entry in another collection · chain A against A, TM-score 1.00
  • P02768 · AlphaFold monomer V2.0 prediction for albumin (P02768) · a predicted model of the same protein · chain A against A, TM-score 0.84

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