MolNFT v1 · #144692 · protein
Navab normopp mutant
6C1E · Ion transport protein: “Navab normopp mutant”. X-ray diffraction, 3 ligands (PX4, BNC, UHH), 7 pockets (best druggability 0.68). MolNFT v1 #144692 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6C1E
- Type
- protein
- Length
- 442 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ion transport protein
- UniProt
- A8EVM5
- Ligands
- PX4, BNC, UHH
- Pockets
- 7 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 82% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ion transport protein | protein | 221 | 82% helix, 0% strand | A8EVM5 |
Ligands and binding sites
- PX4 · 1,2-dimyristoyl-sn-glycero-3-phosphocholine · ligand · 18 copies · chains A, B
- BNC · 5-beta-24-nor-cholane-3(alpha),7(alpha),12(alpha)-triol · ligand · chains A
- UHH · (3alpha,5alpha,7alpha,8alpha,12alpha,14beta,17alpha)-3, 7,12-trihydroxychol-1-en-24-amide · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 560 | 0.68 | 0.77 | 52 | PX4 |
| 2 | 224 | 0.62 | 0.82 | 32 | empty |
| 3 | 155 | 0.57 | 0.82 | 25 | empty |
| 4 | 114 | 0.47 | 0.80 | 17 | empty |
| 5 | 109 | 0.46 | 0.79 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1591 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6C1E · NavAb NormoPP mutant · 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 A8EVM5
- Elsewhere: RCSB PDB 6C1E · PDBe 6C1E · UniProt A8EVM5
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