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MolNFT v1 · #140114 · protein

Crystal structure of human FABP4 complexed with ligand 2-fluoro-5-((4- methoxynaphthalene)-1-sulfonamido) benzoic acid

5Y0F · Fatty acid-binding protein, adipocyte: “Crystal structure of human FABP4 complexed with ligand 2-fluoro-5-((4- methoxynaphthalene)-1-sulfonamido)…”. X-ray diffraction, 1 ligand (8JO), 1 pocket (best druggability 0.85). MolNFT v1…

PDB
5Y0F
Type
protein
Length
136 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fatty acid-binding protein, adipocyte
UniProt
P15090
Ligands
8JO
Pockets
1 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 57% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFatty acid-binding protein, adipocyteprotein13616% helix, 57% strandP15090

Ligands and binding sites

  • 8JO · 2-fluoranyl-5-[(4-methoxynaphthalen-1-yl) sulfonylamino]benzoic acid · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13130.850.95368JO

Compared structures

  • 5Y0F · Crystal structure of human FABP4 complexed with ligand… · the same entry in another collection · chain A against A, TM-score 1.00
  • P15090 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein, adipocyte (P15090) · a predicted model of the same protein · chain A against A, TM-score 0.95

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