Research workbench
Structure of mhetase from ideonella sakaiensis
Analyse Structure of mhetase from ideonella sakaiensis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6QZ4
- Type
- protein
- Length
- 1,136 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MONO(2-hydroxyethyl) terephthalate hydrolase
- EC
- 3.1.1.102
- UniProt
- A0A0K8P8E7
- Ligands
- CA, SO4
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | MONO(2-hydroxyethyl) terephthalate hydrolase (EC 3.1.1.102) | protein | 568 | 33% helix, 18% strand | A0A0K8P8E7 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 451 | 0.81 | 0.89 | 61 | empty |
| 2 | 50 | 0.71 | 0.99 | 22 | empty |
| 3 | 276 | 0.60 | 0.79 | 59 | SO4 |
| 4 | 241 | 0.59 | 0.80 | 49 | SO4 |
| 5 | 91 | 0.39 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 847 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 6QZ4 · Structure of MHETase from Ideonella sakaiensis · 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 A0A0K8P8E7
- Elsewhere: RCSB PDB 6QZ4 · PDBe 6QZ4 · UniProt A0A0K8P8E7
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