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Crystal structure of protein tyrosine phosphatase 1B complexed with phosphotyrosine-containing tetra-peptide (ac-depyl-NH2)

Analyse Crystal structure of protein tyrosine phosphatase 1B complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1PTT
Type: protein
Length: 301 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein tyrosine phosphatase 1B; Phosphotyrosine-containing tetra-peptide
EC: 3.1.3.48
UniProt: P18031
Ligands: ACE
Pockets: 1 · best druggability 0.31

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein tyrosine phosphatase 1B (EC 3.1.3.48)	protein	297	38% helix, 21% strand	P18031
B	Phosphotyrosine-containing tetra-peptide	protein	4	0% helix, 0% strand	—

Ligands and binding sites

ACE · Acetyl group · ligand · chains A, B

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	50	0.31	0.77	11	empty

Interfaces

1 interface between chains.

A–B · 473 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent, 1 modified (covalent ligand, phosphorylation).

Compared structures

1PTT · Crystal structure of protein tyrosine phosphatase 1B complexed with… · 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 1PTT · PDBe 1PTT · UniProt P18031

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