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MolNFT v1 · #32679 · protein

Human serum albumin complexed with myristate and iodipamide

2BXN: “Human serum albumin complexed with myristate and iodipamide”. X-ray diffraction, 2 ligands (MYR, IDB), 5 pockets (best druggability 0.90). MolNFT v1 #32679 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2BXN
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, IDB
Pockets
5 · 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 · 6 copies · chains A
  • IDB · 3-[5-[(3-carboxy-2,4,6-triiodo-phenyl)carbamoyl]pentanoylamino]-2,4,6-triiodo-benzoic acid · ligand · 2 copies · 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, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111330.900.92126MYR, IDB
24250.750.8436MYR
32910.700.8439MYR
41180.600.8618MYR
5680.470.8316IDB

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

  • 2BXN · Human serum albumin complexed with myristate and iodipamide · 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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