MolNFT v1 · #139173 · protein

Crystal structure of SHP2_SH2-caga EPIYA_C peptide complex

5X7B · Tyrosine-protein phosphatase non-receptor type 11: “Crystal structure of SHP2_SH2-caga EPIYA_C peptide complex”. X-ray diffraction, 1 pocket (best druggability 0.55). MolNFT v1 #139173 on GenesisL1: 3D structure, binding sites and…

PDB: 5X7B
Type: protein
Length: 220 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosine-protein phosphatase non-receptor type 11; Caga
EC: 3.1.3.48
UniProt: Q06124, Q9RF15
Pockets: 1 · best druggability 0.55

Structure

x-ray diffraction · 3 distinct chains · 18% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein phosphatase non-receptor type 11 (EC 3.1.3.48)	protein	206	19% helix, 31% strand	Q06124
L	Caga	protein	7	0% helix, 29% strand	Q9RF15
N	Caga	protein	7	0% helix, 14% strand	Q9RF15

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	222	0.55	0.78	26	empty

Interfaces

2 interfaces between chains.

A–N · 448 Å² buried · 9 hydrogen bonds · protein-protein
A–L · 434 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

5X7B · Crystal structure of SHP2_SH2-CagA EPIYA_C peptide 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 Q06124
Every structure of UniProt Q9RF15
Elsewhere: RCSB PDB 5X7B · PDBe 5X7B · UniProt Q06124 · UniProt Q9RF15

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