MolNFT v1 · #173850 · protein
Structure of msba in salipro with ADP vanadate
7BCW · ATP-dependent lipid a-core flippase: “Structure of msba in salipro with ADP vanadate”. Electron microscopy, 4 ligands (ADP, POV, MG), 18 pockets (best druggability 0.90). MolNFT v1 #173850 on GenesisL1: 3D structure, binding sites…
- PDB
- 7BCW
- Type
- protein
- Length
- 1,148 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-dependent lipid a-core flippase
- EC
- 7.5.2.6
- UniProt
- P60752
- Ligands
- ADP, POV, MG, VO4
- Pockets
- 18 · best druggability 0.90
Structure
electron microscopy · 1 distinct chain · 60% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | ATP-dependent lipid a-core flippase (EC 7.5.2.6) | protein | 574 | 60% helix, 9% strand | P60752 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- VO4 · Vanadate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1068 | 0.90 | 0.91 | 132 | VO4, ADP, MG |
| 2 | 156 | 0.79 | 0.95 | 38 | empty |
| 3 | 90 | 0.75 | 0.97 | 29 | empty |
| 4 | 93 | 0.74 | 0.96 | 19 | empty |
| 5 | 204 | 0.68 | 0.86 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 8206 Ų buried · 55 hydrogen bonds · protein-protein
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 P60752
- Elsewhere: RCSB PDB 7BCW · PDBe 7BCW · UniProt P60752
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