Research workbench
Phosphotriesterase variant S7
Analyse Phosphotriesterase variant S7 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5WCP
- Type
- protein
- Length
- 628 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphotriesterase variant pte-R1
- UniProt
- A0A060GZX0
- Ligands
- ZN
- Pockets
- 6 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphotriesterase variant pte-R1 | protein | 316 | 53% helix, 15% strand | A0A060GZX0 |
| G | Phosphotriesterase variant pte-R1 | protein | 312 | 53% helix, 16% strand | A0A060GZX0 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, G
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 6 copies · chains A, G
- CAC · Cacodylate ion · additive · 2 copies · chains A, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 184 | 0.67 | 0.87 | 38 | empty |
| 2 | 267 | 0.55 | 0.76 | 24 | ZN, CAC, MPD |
| 3 | 232 | 0.52 | 0.76 | 26 | CAC |
| 4 | 86 | 0.36 | 0.75 | 20 | empty |
| 5 | 71 | 0.33 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–G · 1339 Ų buried · 36 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (carboxylation).
Compared structures
- 5WCP · Phosphotriesterase variant S7 · 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 A0A060GZX0
- Elsewhere: RCSB PDB 5WCP · PDBe 5WCP · UniProt A0A060GZX0
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