MolNFT v1 · #108812 · protein
TMEM16 lipid scramblase in crystal form 2
4WIT · Predicted protein: “TMEM16 lipid scramblase in crystal form 2”. X-ray diffraction, 1 ligand (CA), 20 pockets (best druggability 0.75). MolNFT v1 #108812 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4WIT
- Type
- protein
- Length
- 1,308 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Predicted protein
- UniProt
- C7Z7K1
- Ligands
- CA
- Pockets
- 20 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Predicted protein | protein | 654 | 69% helix, 5% strand | C7Z7K1 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 716 | 0.75 | 0.81 | 70 | empty |
| 2 | 658 | 0.74 | 0.80 | 66 | empty |
| 3 | 823 | 0.72 | 0.77 | 69 | empty |
| 4 | 811 | 0.69 | 0.76 | 71 | empty |
| 5 | 546 | 0.65 | 0.76 | 43 | empty |
Interfaces
1 interface between chains.
- A–B · 4614 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4WIT · TMEM16 lipid scramblase in crystal form 2 · 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 C7Z7K1
- Elsewhere: RCSB PDB 4WIT · PDBe 4WIT · UniProt C7Z7K1
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