MolNFT v1 · #22718 · protein
Putative phosphatase ynic from escherichia COLI K12
1TE2 · 2-deoxyglucose-6-P phosphatase: “Putative phosphatase ynic from escherichia COLI K12”. X-ray diffraction, 2 ligands (PGA, CA), 8 pockets (best druggability 0.70). MolNFT v1 #22718 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1TE2
- Type
- protein
- Length
- 436 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-deoxyglucose-6-P phosphatase
- EC
- 3.1.3.18
- UniProt
- C3T7L2
- Ligands
- PGA, CA
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 2-deoxyglucose-6-P phosphatase (EC 3.1.3.18) | protein | 218 | 50% helix, 13% strand | C3T7L2 |
Ligands and binding sites
- PGA · 2-phosphoglycolic acid · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 165 | 0.70 | 0.89 | 34 | PGA, CA |
| 2 | 154 | 0.68 | 0.88 | 29 | PGA, CA |
| 3 | 169 | 0.50 | 0.77 | 22 | empty |
| 4 | 188 | 0.48 | 0.76 | 20 | empty |
| 5 | 70 | 0.44 | 0.81 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 789 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 1TE2 · Putative Phosphatase Ynic from Escherichia coli K12 · 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 C3T7L2
- Elsewhere: RCSB PDB 1TE2 · PDBe 1TE2 · UniProt C3T7L2
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