MolNFT v1 · #174016 · protein
PI3KC2A core in complex with PIK90
7BI9 · Phosphatidylinositol 4-phosphate 3-kinase C2 domain…: “PI3KC2A core in complex with PIK90”. X-ray diffraction, 1 ligand (090), 12 pockets (best druggability 0.85). MolNFT v1 #174016 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7BI9
- Type
- protein
- Length
- 821 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol 4-phosphate 3-kinase C2 domain- containing subunit…
- EC
- 2.7.1.154
- UniProt
- Q61194
- Ligands
- 090
- Pockets
- 12 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol 4-phosphate 3-kinase C2 domain- containing subunit ALPHA,PHOSPHATIDYLINOSITOL 4-phosphate 3-kinase C2 domain-containing subunit alpha (EC 2.7.1.154) | protein | 821 | 41% helix, 21% strand | Q61194 |
Ligands and binding sites
- 090 · N-(2,3-dihydro-7,8-dimethoxyimidazo[1,2-C] quinazolin-5-yl)nicotinamide · ligand · chains A
- EDO · 1,2-ethanediol · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 866 | 0.85 | 0.87 | 87 | EDO |
| 2 | 672 | 0.74 | 0.80 | 59 | empty |
| 3 | 362 | 0.63 | 0.78 | 33 | empty |
| 4 | 240 | 0.62 | 0.80 | 28 | 090 |
| 5 | 56 | 0.50 | 0.86 | 16 | EDO |
Compared structures
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 Q61194
- Elsewhere: RCSB PDB 7BI9 · PDBe 7BI9 · UniProt Q61194
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