MolNFT v1 · #160938 · protein
Human PI3KDELTA in complex with compound 4-2 ((3S)-1'- (cyclopropanecarbonyl)-5-(quinoxalin-6-YL)SPIRO[INDOLE-3,2'- pyrrolidin]-2(1H)-one)
6PYU: “Human PI3KDELTA in complex with compound 4-2 ((3S)-1'- (cyclopropanecarbonyl)-5-(quinoxalin-6-YL)SPIRO[INDOLE…”. X-ray diffraction, 1 ligand (P5V). MolNFT v1 #160938 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6PYU
- Type
- protein
- Length
- 1,090 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- O00329, P27986
- Ligands
- P5V
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 930 | — | O00329 |
| B | — | protein | 160 | — | P27986 |
Ligands and binding sites
- P5V · (3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl) spiro[indole-3,2'-pyrrolidin]-2(1H)-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6PYU · Human PI3Kdelta in complex with Compound 4-2 ((3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin… · 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 6PYU · PDBe 6PYU · UniProt O00329 · UniProt P27986
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