MolNFT v1 · #181146 · protein

Human PI3KDELTA in complex with compound 3C

7LM2: “Human PI3KDELTA in complex with compound 3C”. X-ray diffraction, 2 ligands (Y5Y, SO4). MolNFT v1 #181146 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7LM2
Type: protein
Length: 1,104 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: O00329, P27986
Ligands: Y5Y, SO4

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	935	—	O00329
B	—	protein	169	—	P27986

Ligands and binding sites

Y5Y · cyclopropyl[(3S)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}pyrrolidin-1-yl]methanone · ligand · chains A
SO4 · Sulfate ion · ion · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Compared structures

7LM2 · Human PI3KDELTA in complex with compound 3C · the same entry in another collection · chain A against A, TM-score 1.00
O00329 · 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 0.98

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 O00329
Every structure of UniProt P27986
Elsewhere: RCSB PDB 7LM2 · PDBe 7LM2 · UniProt O00329 · UniProt P27986

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