MolNFT v1 · #66414 · protein
Kcsa E71H-F103A mutant in the closed state
3HPL · Antibody Fab heavy chain: “Kcsa E71H-F103A mutant in the closed state”. X-ray diffraction, 1 ligand (K), 5 pockets (best druggability 0.68). MolNFT v1 #66414 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3HPL
- Type
- protein
- Length
- 525 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibody Fab heavy chain; Antibody Fab light chain; Voltage-gated potassium channel
- UniProt
- P0A334
- Ligands
- K
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 17% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Antibody Fab heavy chain | protein | 219 | 4% helix, 45% strand | — |
| B | Antibody Fab light chain | protein | 212 | 6% helix, 46% strand | — |
| C | Voltage-gated potassium channel | protein | 94 | 73% helix, 0% strand | P0A334 |
Ligands and binding sites
- K · Potassium ion · metal · 6 copies · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 738 | 0.68 | 0.76 | 58 | empty |
| 2 | 84 | 0.55 | 0.86 | 18 | empty |
| 3 | 196 | 0.50 | 0.76 | 34 | empty |
| 4 | 57 | 0.50 | 0.86 | 15 | empty |
| 5 | 110 | 0.39 | 0.75 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1817 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 479 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 430 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3HPL · KcsA E71H-F103A mutant in the closed state · 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 3HPL · PDBe 3HPL · UniProt P0A334
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