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Crystal structure of pet-degrading cutinase CUT190 S176A/S226P/R228S/ mutant in CA(2+)-bound state
Analyse Crystal structure of pet-degrading cutinase CUT190 S176A/S226P/R228S/ mutant in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5ZNO
- Type
- protein
- Length
- 521 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALPHA/BETA hydrolase family protein
- EC
- 3.1.1.74
- UniProt
- W0TJ64
- Ligands
- CA
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALPHA/BETA hydrolase family protein (EC 3.1.1.74) | protein | 260 | 31% helix, 22% strand | W0TJ64 |
| B | ALPHA/BETA hydrolase family protein (EC 3.1.1.74) | protein | 261 | 31% helix, 22% strand | W0TJ64 |
Ligands and binding sites
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 | 234 | 0.59 | 0.80 | 31 | empty |
| 2 | 124 | 0.40 | 0.75 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 370 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5ZNO · Crystal structure of PET-degrading cutinase Cut190 S176A/S226P/R228S/ mutant in… · 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 W0TJ64
- Elsewhere: RCSB PDB 5ZNO · PDBe 5ZNO · UniProt W0TJ64
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