Research workbench
Crystal structure of a family VIII carboxylesterase.
Analyse Crystal structure of a family VIII carboxylesterase. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IVI
- Type
- protein
- Length
- 404 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxylesterase
- EC
- 3.1.1.1
- UniProt
- K4HQE7
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carboxylesterase (EC 3.1.1.1) | protein | 404 | 32% helix, 21% strand | K4HQE7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 643 | 0.76 | 0.82 | 56 | empty |
| 2 | 92 | 0.41 | 0.78 | 19 | empty |
Modifications
Observed in the structure: 17 modified (engineered).
Compared structures
- 4IVI · Crystal structure of a family VIII carboxylesterase. · 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 K4HQE7
- Elsewhere: RCSB PDB 4IVI · PDBe 4IVI · UniProt K4HQE7
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