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MolNFT v1 · #131841 · protein

Pandda analysis group deposition -- crystal structure of PTP1B in complex with COMPOUND_FMSOA001176B

5QG6 · Tyrosine-protein phosphatase non-receptor type 1: “Pandda analysis group deposition -- crystal structure of PTP1B in complex with COMPOUND_FMSOA001176B”. X-ray diffraction, 1 ligand (JPG), 2 pockets (best druggability 0.46). MolNFT…

PDB
5QG6
Type
protein
Length
282 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tyrosine-protein phosphatase non-receptor type 1
EC
3.1.3.48
UniProt
P18031
Ligands
JPG
Pockets
2 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48)protein28235% helix, 23% strandP18031

Ligands and binding sites

  • JPG · 1-(2-phenoxyphenyl)ethan-1-one · ligand · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11350.460.7721empty
2500.300.7614empty

Compared structures

  • 5QG6 · PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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