MolNFT v1 · #181823 · protein
Legionella pneumophila mavq lipid kinase
7M7A · Phosphoinositide 3-kinase mavq: “Legionella pneumophila mavq lipid kinase”. X-ray diffraction, 2 ligands (ADP, MG), 20 pockets (best druggability 0.79). MolNFT v1 #181823 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7M7A
- Type
- protein
- Length
- 2,125 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoinositide 3-kinase mavq
- EC
- 3.1.3.64
- UniProt
- Q5ZRA8
- Ligands
- ADP, MG
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 54% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoinositide 3-kinase mavq (EC 3.1.3.64) | protein | 538 | 54% helix, 8% strand | Q5ZRA8 |
| B | Phosphoinositide 3-kinase mavq (EC 3.1.3.64) | protein | 522 | 55% helix, 8% strand | Q5ZRA8 |
| C | Phosphoinositide 3-kinase mavq (EC 3.1.3.64) | protein | 536 | 53% helix, 8% strand | Q5ZRA8 |
| D | Phosphoinositide 3-kinase mavq (EC 3.1.3.64) | protein | 529 | 53% helix, 8% strand | Q5ZRA8 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 4 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 720 | 0.79 | 0.83 | 63 | empty |
| 2 | 899 | 0.76 | 0.79 | 85 | empty |
| 3 | 254 | 0.71 | 0.86 | 34 | empty |
| 4 | 395 | 0.69 | 0.81 | 35 | empty |
| 5 | 213 | 0.63 | 0.83 | 31 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1067 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 1005 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 505 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 47 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7M7A · Legionella pneumophila MavQ lipid kinase · the same entry in another collection · chain A against A, TM-score 1.00
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 Q5ZRA8
- Elsewhere: RCSB PDB 7M7A · PDBe 7M7A · UniProt Q5ZRA8
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