MolNFT v1 · #133412 · protein

INPP5D pandda analysis group deposition -- crystal structure of the phosphatase and C2 domains of SHIP1 in complex with Z19739650

5RXZ · Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1: “INPP5D pandda analysis group deposition -- crystal structure of the phosphatase and C2 domains of SHIP1 in…”. X-ray diffraction, 1 ligand (WKD), 4 pockets (best druggability…

PDB: 5RXZ
Type: protein
Length: 460 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
EC: 3.1.3.86, 3.1.3.56, 3.1.3.36
UniProt: Q92835
Ligands: WKD
Pockets: 4 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 (EC 3.1.3.86, 3.1.3.56, 3.1.3.36)	protein	460	17% helix, 37% strand	Q92835

Ligands and binding sites

WKD · (2R)-2-(4-cyanophenoxy)propanamide · ligand · chains A
DMS · Dimethyl sulfoxide · additive · 3 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	368	0.67	0.81	52	DMS
2	84	0.41	0.79	22	DMS
3	93	0.35	0.75	19	empty
4	63	0.30	0.75	20	empty

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 Q92835
Elsewhere: RCSB PDB 5RXZ · PDBe 5RXZ · UniProt Q92835

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