MolNFT v1 · #2816 · protein

Crystal structure of protein tyrosine phosphatase 1B complexed with 2- (oxalyl-amino)-4,5,6,7-tetrahydro-THIENO[2,3-C]PYRIDINE-3-carboxylic acid

1C88 · Protein (protein-tyrosine phosphatase 1B): “Crystal structure of protein tyrosine phosphatase 1B complexed with 2…”. X-ray diffraction, 1 ligand (OTA), 1 pocket (best druggability 0.39). MolNFT v1 #2816 on GenesisL1: 3D structure…

PDB: 1C88
Type: protein
Length: 297 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein (protein-tyrosine phosphatase 1B)
EC: 3.1.3.48
UniProt: P18031
Ligands: OTA
Pockets: 1 · best druggability 0.39

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein (protein-tyrosine phosphatase 1B) (EC 3.1.3.48)	protein	297	39% 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

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	54	0.39	0.81	17	OTA

Compared structures

1C88 · 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 1C88 · PDBe 1C88 · UniProt P18031

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