MolNFT v1 · #36482 · protein

Protein tyrosine phosphatase 1B with sulfamic acid inhibitors

2F6Y · Tyrosine-protein phosphatase, non-receptor type 1: “Protein tyrosine phosphatase 1B with sulfamic acid inhibitors”. X-ray diffraction, 3 ligands (ENT, MG, CL), 2 pockets (best druggability 0.40). MolNFT v1 #36482 on GenesisL1: 3D…

PDB: 2F6Y
Type: protein
Length: 297 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: ENT, MG, CL
Pockets: 2 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein phosphatase, non-receptor type 1 (EC 3.1.3.48)	protein	297	36% helix, 22% strand	P18031

Ligands and binding sites

ENT · 3(R)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester · ligand · chains A
MG · Magnesium ion · metal · chains A
CL · Chloride ion · ion · 5 copies · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	53	0.40	0.81	14	ENT
2	53	0.34	0.78	14	empty

Compared structures

2F6Y · Protein tyrosine phosphatase 1B with sulfamic acid inhibitors · 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 2F6Y · PDBe 2F6Y · UniProt P18031

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