MolNFT v1 · #145551 · protein

Crystal structure of SHP2 E76K gof mutant in the open conformation

6CRF · Tyrosine-protein phosphatase non-receptor type 11: “Crystal structure of SHP2 E76K gof mutant in the open conformation”. X-ray diffraction, 16 pockets (best druggability 0.72). MolNFT v1 #145551 on GenesisL1: 3D structure, binding…

PDB: 6CRF
Type: protein
Length: 926 residues
Chains: 2
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
Pockets: 16 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein phosphatase non-receptor type 11 (EC 3.1.3.48)	protein	475	29% helix, 23% strand	Q06124
B	Tyrosine-protein phosphatase non-receptor type 11 (EC 3.1.3.48)	protein	451	33% helix, 22% strand	Q06124

Ligands and binding sites

GOL · Glycerol · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

16 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	734	0.72	0.78	78	empty
2	171	0.64	0.85	31	empty
3	169	0.59	0.83	28	empty
4	324	0.58	0.76	42	empty
5	223	0.55	0.78	24	empty

Interfaces

1 interface between chains.

A–B · 563 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

6CRF · Crystal Structure of Shp2 E76K GOF Mutant in the Open Conformation · 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 6CRF · PDBe 6CRF · UniProt Q06124

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