MolNFT v1 · #23119 · protein
Covalent reaction intermediate revealed in crystal structure of the geobacillus stearothermophilus carboxylesterase EST30
1TQH · Carboxylesterase precursor: “Covalent reaction intermediate revealed in crystal structure of the geobacillus stearothermophilus…”. X-ray diffraction, 2 ligands (4PA, SO4), 1 pocket (best druggability 0.65). MolNFT v1 #23119 on…
- 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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