MolNFT v1 · #81717 · protein
Crystal structure of ciona intestinalis voltage sensor-containing phosphatase (ci-vsp), residues 241-576(C363S), form III
3V0G · Voltage-sensor containing phosphatase: “Crystal structure of ciona intestinalis voltage sensor-containing phosphatase (ci-vsp), residues…”. X-ray diffraction, 1 ligand (PO4), 18 pockets (best druggability 0.66). MolNFT v1 #81717 on…
- PDB
- 3V0G
- Type
- protein
- Length
- 1,309 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Voltage-sensor containing phosphatase
- UniProt
- Q4W8A1
- Ligands
- PO4
- Pockets
- 18 · best druggability 0.66
Structure
x-ray diffraction · 4 distinct chains · 26% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Voltage-sensor containing phosphatase | protein | 326 | 26% helix, 29% strand | Q4W8A1 |
| B | Voltage-sensor containing phosphatase | protein | 334 | 26% helix, 29% strand | Q4W8A1 |
| C | Voltage-sensor containing phosphatase | protein | 324 | 26% helix, 30% strand | Q4W8A1 |
| D | Voltage-sensor containing phosphatase | protein | 325 | 27% helix, 30% strand | Q4W8A1 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 9 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 433 | 0.66 | 0.79 | 53 | PO4 |
| 2 | 274 | 0.63 | 0.81 | 33 | empty |
| 3 | 219 | 0.52 | 0.77 | 42 | empty |
| 4 | 225 | 0.49 | 0.74 | 31 | empty |
| 5 | 112 | 0.47 | 0.79 | 22 | empty |
Interfaces
4 interfaces between chains.
- B–C · 528 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 427 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 351 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 344 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3V0G · Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP)… · 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 Q4W8A1
- Elsewhere: RCSB PDB 3V0G · PDBe 3V0G · UniProt Q4W8A1
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