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X-ray study of human serum albumin complexed with etoposide

Analyse X-ray study of human serum albumin complexed with etoposide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4LB9
Type
protein
Length
583 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Serum albumin
UniProt
P02768
Ligands
MYR, EVP
Pockets
5 · best druggability 0.90

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASerum albuminprotein58372% helix, 0% strandP02768

Ligands and binding sites

  • MYR · Myristic acid · ligand · 4 copies · chains A
  • EVP · (5s,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5A,6,8,8A,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110310.900.92129MYR
23810.740.8449EVP
32870.720.8534MYR
41120.560.8417empty
51090.560.8419empty

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

  • 4LB9 · X-ray study of human serum albumin complexed with etoposide · 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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