MolNFT v1 · #66139 · protein

Crystal structure of P110ALPHA H1047R mutant in complex with NISH2 of P85ALPHA and the drug wortmannin

3HHM · Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic…: “Crystal structure of P110ALPHA H1047R mutant in complex with NISH2 of P85ALPHA and the drug wortmannin”. X-ray diffraction, 1 ligand (KWT), 19 pockets (best druggability…

PDB: 3HHM
Type: protein
Length: 1,279 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform; NISH2…
EC: 2.7.1.153
UniProt: P42336, P27986
Ligands: KWT
Pockets: 19 · best druggability 0.87

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (EC 2.7.1.153)	protein	1032	38% helix, 17% strand	P42336
B	NISH2 P85ALPHA	protein	247	59% helix, 11% strand	P27986

Ligands and binding sites

KWT · (1s,6br,9as,11r,11br)-9A,11B-dimethyl-1-[(methyloxy) methyl]-3,6,9-trioxo-1,6,6B,7,8,9,9A,10,11,11B-decahydro-3H-furo[4, 3,2-de]indeno[4,5-h][2]benzopyran-11-yl acetate · ligand · chains A

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

Pockets

19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	958	0.87	0.88	86	empty
2	536	0.84	0.90	66	empty
3	356	0.79	0.89	48	empty
4	205	0.74	0.90	41	empty
5	410	0.74	0.84	51	empty

Interfaces

1 interface between chains.

A–B · 3047 Å² buried · 32 hydrogen bonds · protein-protein

Compared structures

3HHM · Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the… · the same entry in another collection · chain A against A, TM-score 1.00
P42336 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 4,5-bisphosphate 3-kinase… · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P42336
Every structure of UniProt P27986
Elsewhere: RCSB PDB 3HHM · PDBe 3HHM · UniProt P42336 · UniProt P27986

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.