MolNFT v1 · #145981 · protein
Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa
6D3W · Trehalose phosphatase: “Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa”. X-ray diffraction, 1 ligand (CA), 7 pockets (best druggability 0.69). MolNFT v1 #145981 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6D3W
- Type
- protein
- Length
- 502 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trehalose phosphatase
- UniProt
- A0A1S1GKD7
- Ligands
- CA
- Pockets
- 7 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Trehalose phosphatase | protein | 251 | 38% helix, 25% strand | A0A1S1GKD7 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
- ACY · Acetic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 370 | 0.69 | 0.82 | 40 | CA, ACY |
| 2 | 382 | 0.68 | 0.81 | 40 | CA, ACY |
| 3 | 188 | 0.52 | 0.78 | 25 | empty |
| 4 | 172 | 0.48 | 0.76 | 28 | empty |
| 5 | 83 | 0.37 | 0.76 | 16 | EDO |
Interfaces
1 interface between chains.
- A–B · 1292 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6D3W · Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa · 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 A0A1S1GKD7
- Elsewhere: RCSB PDB 6D3W · PDBe 6D3W · UniProt A0A1S1GKD7
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