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Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors

Analyse Structural studies of protein tyrosine phosphatase beta catalytic domain in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2H02
Type: protein
Length: 561 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein tyrosine phosphatase, receptor type, B,
EC: 3.1.3.48
UniProt: Q3MIV7
Ligands: 2UN
Pockets: 1 · best druggability 0.27

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein tyrosine phosphatase, receptor type, B, (EC 3.1.3.48)	protein	278	39% helix, 22% strand	Q3MIV7
B	Protein tyrosine phosphatase, receptor type, B, (EC 3.1.3.48)	protein	283	37% helix, 21% strand	Q3MIV7

Ligands and binding sites

2UN · {4-[2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid · ligand · 2 copies · 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	55	0.27	0.74	21	empty

Interfaces

1 interface between chains.

A–B · 100 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

2H02 · Structural studies of protein tyrosine phosphatase beta catalytic domain in complex 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 Q3MIV7
Elsewhere: RCSB PDB 2H02 · PDBe 2H02 · UniProt Q3MIV7

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