Research workbench
Crystal structure of pten-like domain of ci-vsp (248-576)
Analyse Crystal structure of pten-like domain of ci-vsp (248-576) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3AWE
- Type
- protein
- Length
- 920 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Voltage-sensor containing phosphatase
- EC
- 3.1.3.-
- UniProt
- Q4W8A1
- Ligands
- NA, SO4
- Pockets
- 10 · best druggability 0.67
Structure
x-ray diffraction · 3 distinct chains · 29% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Voltage-sensor containing phosphatase (EC 3.1.3.-) | protein | 305 | 29% helix, 30% strand | Q4W8A1 |
| B | Voltage-sensor containing phosphatase (EC 3.1.3.-) | protein | 307 | 29% helix, 32% strand | Q4W8A1 |
| C | Voltage-sensor containing phosphatase (EC 3.1.3.-) | protein | 308 | 28% helix, 31% strand | Q4W8A1 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A
- SO4 · Sulfate ion · ion · 7 copies · chains A, B, C
- ACY · Acetic acid · additive · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 420 | 0.67 | 0.80 | 47 | SO4 |
| 2 | 213 | 0.56 | 0.79 | 31 | empty |
| 3 | 133 | 0.50 | 0.80 | 21 | empty |
| 4 | 256 | 0.50 | 0.74 | 35 | empty |
| 5 | 145 | 0.48 | 0.78 | 27 | empty |
Interfaces
3 interfaces between chains.
- A–C · 427 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 400 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 111 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3AWE · Crystal structure of Pten-like domain of Ci-VSP (248-576) · 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 3AWE · PDBe 3AWE · UniProt Q4W8A1
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