MolNFT v1 · #27167 · protein

PTP1B complexed with isoxazole carboxylic acid

1XBO · Protein-tyrosine phosphatase, non-receptor type 1: “PTP1B complexed with isoxazole carboxylic acid”. X-ray diffraction, 1 ligand (IX1), 1 pocket (best druggability 0.43). MolNFT v1 #27167 on GenesisL1: 3D structure, binding sites…

PDB: 1XBO
Type: protein
Length: 298 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein-tyrosine phosphatase, non-receptor type 1
EC: 3.1.3.48
UniProt: P18031
Ligands: IX1
Pockets: 1 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein-tyrosine phosphatase, non-receptor type 1 (EC 3.1.3.48)	protein	298	38% helix, 19% strand	P18031

Ligands and binding sites

IX1 · 5-(3-{3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	51	0.43	0.83	14	IX1

Compared structures

1XBO · PTP1B complexed with Isoxazole Carboxylic Acid · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P18031
Elsewhere: RCSB PDB 1XBO · PDBe 1XBO · UniProt P18031

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