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MolNFT v1 · #134344 · protein

Structure of PTP1B complexed with N-(3'-(1,1-dioxido-4-oxo-1,2,5- thiadiazolidin-2-yl)-4'-methyl-[1,1'-biphenyl]-4-YL)ACETAMIDE

5T19 · Tyrosine-protein phosphatase non-receptor type 1: “Structure of PTP1B complexed with N-(3'-(1,1-dioxido-4-oxo-1,2,5…”. X-ray diffraction, 3 ligands (73U, MG, CL), 1 pocket (best druggability 0.48). MolNFT v1 #134344 on GenesisL1: 3D…

PDB
5T19
Type
protein
Length
300 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
73U, MG, CL
Pockets
1 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48)protein30037% helix, 21% strandP18031

Ligands and binding sites

  • 73U · 5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • CL · Chloride ion · ion · 3 copies · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1700.480.831573U

Compared structures

  • 5T19 · Structure of PTP1B complexed with N-(3'-(1,1-dioxido-4-oxo-1,2,5-thiadiazolidin-2-yl)-4'-m… · the same entry in another collection · chain A against A, TM-score 1.00

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