MolNFT v1 · #19004 · protein

The structure of phosphotyrosine phosphatase 1B in complex with compound 3

1Q6M · Protein-tyrosine phosphatase, non-receptor type 1: “The structure of phosphotyrosine phosphatase 1B in complex with compound 3”. X-ray diffraction, 1 ligand (P27), 2 pockets (best druggability 0.47). MolNFT v1 #19004 on GenesisL1…

PDB: 1Q6M
Type: protein
Length: 289 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: P27
Pockets: 2 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein-tyrosine phosphatase, non-receptor type 1 (EC 3.1.3.48)	protein	289	38% helix, 21% strand	P18031

Ligands and binding sites

P27 · {[2-(1H-1,2,3-benzotriazol-1-yl)-2-(3,4-difluorophenyl)propane-1,3-diyl]bis[4,1-phenylene(difluoromethylene)]}bis(phosphonic acid) · ligand · 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	51	0.47	0.85	14	empty
2	83	0.40	0.77	12	empty

Compared structures

1Q6M · The structure of phosphotyrosine phosphatase 1B in complex with compound 3 · 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 1Q6M · PDBe 1Q6M · UniProt P18031

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