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Human serum albumin complexed with dansyl-L-norvaline

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

PDB
2XW1
Type
protein
Length
1,135 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Serum albumin
UniProt
P02768
Ligands
9NV
Pockets
16 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASerum albuminprotein56974% helix, 0% strandP02768
BSerum albuminprotein56673% helix, 0% strandP02768

Ligands and binding sites

  • 9NV · Dansyl-L-norvaline · ligand · 2 copies · chains A, B

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

Pockets

16 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18470.840.8699empty
28080.800.8382empty
31880.700.87249NV
41970.700.87239NV
54480.700.8051empty

Modifications

Observed in the structure: 34 disulfide (disulfide).

Compared structures

  • 2XW1 · Human serum albumin complexed with dansyl-L-norvaline · the same entry in another collection · chain B against B, 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 0.99

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