MolNFT v1 · #56670 · protein

Crystal structure of PTP1B-inhibitor complex

2ZMM · Tyrosine-protein phosphatase non-receptor type 1: “Crystal structure of PTP1B-inhibitor complex”. X-ray diffraction, 3 ligands (35B, MG, CL), 1 pocket (best druggability 0.51). MolNFT v1 #56670 on GenesisL1: 3D structure, binding…

PDB: 2ZMM
Type: protein
Length: 297 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: 35B, MG, CL
Pockets: 1 · best druggability 0.51

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	297	36% helix, 21% strand	P18031

Ligands and binding sites

35B · 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid · ligand · chains A
MG · Magnesium ion · metal · chains A
CL · Chloride ion · ion · 6 copies · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	81	0.51	0.84	14	35B

Compared structures

2ZMM · Crystal structure of PTP1B-inhibitor complex · 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 2ZMM · PDBe 2ZMM · UniProt P18031

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