MolNFT v1 · #71799 · protein

Crystal structure of SHP2 in complex with a tautomycetin analog ttn D- 1

3MOW · Tyrosine-protein phosphatase non-receptor type 11: “Crystal structure of SHP2 in complex with a tautomycetin analog ttn D- 1”. X-ray diffraction, 1 ligand (B2B), 1 pocket (best druggability 0.37). MolNFT v1 #71799 on GenesisL1: 3D…

PDB: 3MOW
Type: protein
Length: 254 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosine-protein phosphatase non-receptor type 11
EC: 3.1.3.48
UniProt: Q06124
Ligands: B2B
Pockets: 1 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein phosphatase non-receptor type 11 (EC 3.1.3.48)	protein	254	32% helix, 24% strand	Q06124

Ligands and binding sites

B2B · (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10S,12S,15E,17E)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic 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	83	0.37	0.76	22	empty

Compared structures

3MOW · Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1 · 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 Q06124
Elsewhere: RCSB PDB 3MOW · PDBe 3MOW · UniProt Q06124

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