MolNFT v1 · #124272 · protein

Protein tyrosine phosphatase 1B L192A mutant in complex with TCS401, open state

5KA9 · Tyrosine-protein phosphatase non-receptor type 1: “Protein tyrosine phosphatase 1B L192A mutant in complex with TCS401, open state”. X-ray diffraction, 2 ligands (OTA, CL), 1 pocket (best druggability 0.49). MolNFT v1 #124272 on…

PDB: 5KA9
Type: protein
Length: 299 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: OTA, CL
Pockets: 1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48)	protein	299	36% helix, 21% strand	P18031

Ligands and binding sites

OTA · 2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid · ligand · chains A
CL · Chloride ion · ion · 4 copies · chains A
GOL · Glycerol · additive · 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	160	0.49	0.77	22	OTA

Compared structures

5KA9 · Protein Tyrosine Phosphatase 1B L192A mutant in complex with TCS401, open state · 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 5KA9 · PDBe 5KA9 · UniProt P18031

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