MolNFT v1 · #189843 · protein
Cryo-EM structure of nucleotide-free ABCA3
7W01 · Phospholipid-transporting ATPase ABCA3: “Cryo-EM structure of nucleotide-free ABCA3”. Electron microscopy, 3 ligands (POV, PX4, NAG), 20 pockets (best druggability 0.84). MolNFT v1 #189843 on GenesisL1: 3D structure, binding sites…
- PDB
- 7W01
- Type
- protein
- Length
- 1,598 residues
- Chains
- 1
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phospholipid-transporting ATPase ABCA3
- EC
- 7.6.2.1, 7.6.2.2
- UniProt
- Q99758
- Ligands
- POV, PX4, NAG
- Pockets
- 20 · best druggability 0.84
Structure
electron microscopy · 1 distinct chain · 41% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phospholipid-transporting ATPase ABCA3 (EC 7.6.2.1, 7.6.2.2) | protein | 1598 | 41% helix, 10% strand | Q99758 |
Ligands and binding sites
- POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · ligand · 3 copies · chains A
- PX4 · 1,2-dimyristoyl-sn-glycero-3-phosphocholine · ligand · 2 copies · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
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 | 936 | 0.84 | 0.86 | 92 | empty |
| 2 | 674 | 0.75 | 0.81 | 67 | empty |
| 3 | 859 | 0.72 | 0.77 | 59 | empty |
| 4 | 235 | 0.69 | 0.85 | 39 | empty |
| 5 | 185 | 0.69 | 0.87 | 29 | empty |
Modifications
Observed in the structure: 2 glycan, 1 disulfide (N-glycosylation, disulfide).
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 Q99758
- Elsewhere: RCSB PDB 7W01 · PDBe 7W01 · UniProt Q99758
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