MolNFT v1 · #169511 · protein

Crystal structure of the PTP1B yoph wpd loop chimera 4 bound to tungstate

6XEG · Tyrosine-protein phosphatase non-receptor type 1: “Crystal structure of the PTP1B yoph wpd loop chimera 4 bound to tungstate”. X-ray diffraction, 3 ligands (BEN, MG, WO4), 1 pocket (best druggability 0.42). MolNFT v1 #169511 on…

PDB: 6XEG
Type: protein
Length: 298 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: BEN, MG, WO4
Pockets: 1 · best druggability 0.42

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48)	protein	298	37% helix, 19% strand	P18031

Ligands and binding sites

BEN · Benzamidine · ligand · chains A
MG · Magnesium ion · metal · chains A
WO4 · Tungstate(vi)ion · ion · chains A
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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	77	0.42	0.79	15	WO4

Compared structures

6XEG · Crystal structure of the PTP1B YopH WPD loop Chimera 4 bound to tungstate · 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 6XEG · PDBe 6XEG · UniProt P18031

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