Research workbench
Covalent reaction intermediate revealed in crystal structure of the geobacillus stearothermophilus carboxylesterase EST30
Analyse Covalent reaction intermediate revealed in crystal structure of the geobacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1TQH
- Type
- protein
- Length
- 242 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxylesterase precursor
- EC
- 3.1.1.1
- UniProt
- Q06174
- Ligands
- 4PA, SO4
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carboxylesterase precursor (EC 3.1.1.1) | protein | 242 | 48% helix, 14% strand | Q06174 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 323 | 0.65 | 0.80 | 34 | 4PA |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 1TQH · Covalent Reaction intermediate Revealed in Crystal Structure of the Geobacillus… · the same entry in another collection · chain A against A, TM-score 1.00
- Q06174 · AlphaFold monomer V2.0 prediction for carboxylesterase (Q06174) · a predicted model of the same protein · 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 Q06174
- Elsewhere: RCSB PDB 1TQH · PDBe 1TQH · UniProt Q06174
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