MolNFT v1 · #58211 · protein
Crystal structure of pten-like domain of ci-vsp G356A mutant (248-576)
3AWG · Voltage-sensor containing phosphatase: “Crystal structure of pten-like domain of ci-vsp G356A mutant (248-576)”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.73). MolNFT v1 #58211 on GenesisL1: 3D structure…
- PDB
- 3AWG
- 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
- SO4
- Pockets
- 8 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 28% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Voltage-sensor containing phosphatase (EC 3.1.3.-) | protein | 306 | 29% helix, 31% strand | Q4W8A1 |
| B | Voltage-sensor containing phosphatase (EC 3.1.3.-) | protein | 306 | 27% helix, 32% strand | Q4W8A1 |
| C | Voltage-sensor containing phosphatase (EC 3.1.3.-) | protein | 308 | 27% helix, 31% strand | Q4W8A1 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 10 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 804 | 0.73 | 0.78 | 87 | SO4 |
| 2 | 137 | 0.49 | 0.78 | 20 | empty |
| 3 | 138 | 0.49 | 0.78 | 30 | empty |
| 4 | 106 | 0.45 | 0.79 | 20 | empty |
| 5 | 158 | 0.44 | 0.75 | 25 | empty |
Interfaces
3 interfaces between chains.
- A–C · 439 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 420 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 102 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3AWG · Crystal structure of Pten-like domain of Ci-VSP G356A mutant (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 3AWG · PDBe 3AWG · UniProt Q4W8A1
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