MolNFT v1 · #144700 · protein
Hypopp mutant
6C1P · Ion transport protein: “Hypopp mutant”. X-ray diffraction, 3 ligands (PX4, 1N7, PO4), 15 pockets (best druggability 0.82). MolNFT v1 #144700 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6C1P
- Type
- protein
- Length
- 872 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ion transport protein
- UniProt
- A8EVM5
- Ligands
- PX4, 1N7, PO4
- Pockets
- 15 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 83% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ion transport protein | protein | 218 | 83% helix, 0% strand | A8EVM5 |
| B | Ion transport protein | protein | 217 | 83% helix, 0% strand | A8EVM5 |
| C | Ion transport protein | protein | 219 | 84% helix, 0% strand | A8EVM5 |
| D | Ion transport protein | protein | 218 | 84% helix, 0% strand | A8EVM5 |
Ligands and binding sites
- PX4 · 1,2-dimyristoyl-sn-glycero-3-phosphocholine · ligand · 15 copies · chains A, C, B, D
- 1N7 · Chapso · ligand · chains A, C
- PO4 · Phosphate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 946 | 0.82 | 0.83 | 94 | empty |
| 2 | 663 | 0.69 | 0.76 | 62 | PX4 |
| 3 | 319 | 0.57 | 0.76 | 34 | PX4 |
| 4 | 190 | 0.56 | 0.78 | 21 | empty |
| 5 | 230 | 0.54 | 0.78 | 36 | empty |
Interfaces
4 interfaces between chains.
- A–C · 1527 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 1521 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 1440 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 1425 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6C1P · HypoPP 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 6C1P · PDBe 6C1P · UniProt A8EVM5
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