MolNFT v1 · #131812 · protein

Pandda analysis group deposition -- crystal structure of PTP1B in complex with COMPOUND_FMOOA000505A

5QFD · Tyrosine-protein phosphatase non-receptor type 1: “Pandda analysis group deposition -- crystal structure of PTP1B in complex with COMPOUND_FMOOA000505A”. X-ray diffraction, 1 ligand (JN1), 2 pockets (best druggability 0.47). MolNFT…

PDB: 5QFD
Type: protein
Length: 283 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: JN1
Pockets: 2 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48)	protein	283	35% helix, 23% strand	P18031

Ligands and binding sites

JN1 · (6R)-5,6-dihydro-1H-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3H)-trione · ligand · 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

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	138	0.47	0.78	21	empty
2	53	0.25	0.73	16	empty

Compared structures

5QFD · PanDDA analysis group deposition -- Crystal structure of PTP1B 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 P18031
Elsewhere: RCSB PDB 5QFD · PDBe 5QFD · UniProt P18031

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