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Human serum albumin complexed with dansyl-L-arginine and myristic acid

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

PDB
2XVW
Type
protein
Length
582 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Serum albumin
UniProt
P02768
Ligands
MYR, 9NR
Pockets
7 · best druggability 0.89

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASerum albuminprotein58274% helix, 0% strandP02768

Ligands and binding sites

  • MYR · Myristic acid · ligand · 6 copies · chains A
  • 9NR · Dansyl-L-arginine · ligand · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18410.890.9296MYR, 9NR
22750.820.9334MYR
33850.740.8432MYR, 9NR
42620.680.8341MYR
51190.600.8522MYR

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

  • 2XVW · Human serum albumin complexed with dansyl-L-arginine and myristic 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 0.85

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