MolNFT v1 · #160081 · protein
Structure of the G77A mutant in sodium chloride
6PA0 · Antibody heavy fragment: “Structure of the G77A mutant in sodium chloride”. X-ray diffraction, 3 ligands (F09, DGA, NA), 6 pockets (best druggability 0.69). MolNFT v1 #160081 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6PA0
- Type
- protein
- Length
- 534 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibody heavy fragment; Antibody light fragment; PH-gated potassium channel kcsa
- UniProt
- P0A334
- Ligands
- F09, DGA, NA
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Antibody heavy fragment | protein | 219 | 5% helix, 51% strand | — |
| B | Antibody light fragment | protein | 212 | 6% helix, 53% strand | — |
| C | PH-gated potassium channel kcsa | protein | 103 | 75% helix, 0% strand | P0A334 |
Ligands and binding sites
- F09 · Nonan-1-ol · ligand · chains A, C
- DGA · Diacyl glycerol · ligand · chains C
- NA · Sodium ion · metal · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 738 | 0.69 | 0.76 | 60 | empty |
| 2 | 59 | 0.49 | 0.85 | 14 | empty |
| 3 | 70 | 0.49 | 0.84 | 16 | empty |
| 4 | 170 | 0.47 | 0.76 | 33 | empty |
| 5 | 59 | 0.45 | 0.84 | 22 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1801 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 511 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 434 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6PA0 · Structure of the G77A mutant in Sodium Chloride · 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 P0A334
- Elsewhere: RCSB PDB 6PA0 · PDBe 6PA0 · UniProt P0A334
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