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MolNFT v1 · #32678 · protein

Human serum albumin complexed with myristate and indomethacin

2BXM: “Human serum albumin complexed with myristate and indomethacin”. X-ray diffraction, 2 ligands (MYR, IMN), 6 pockets (best druggability 0.90). MolNFT v1 #32678 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2BXM
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, IMN
Pockets
6 · best druggability 0.90

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ASerum albuminprotein58273% helix, 0% strandP02768

Ligands and binding sites

  • MYR · Myristic acid · ligand · 7 copies · chains A
  • IMN · Indomethacin · ligand · 2 copies · 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
111510.900.92127MYR, IMN
22730.730.8625MYR, IMN
32620.680.8438MYR
4820.590.8815MYR
51440.570.8218empty

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

  • 2BXM · Human serum albumin complexed with myristate and indomethacin · 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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