MolNFT v1 · #162114 · protein
Structure of mhetase from ideonella sakaiensis
6QZ3 · MONO(2-hydroxyethyl) terephthalate hydrolase: “Structure of mhetase from ideonella sakaiensis”. X-ray diffraction, 2 ligands (BEZ, CA), 2 pockets (best druggability 0.60). MolNFT v1 #162114 on GenesisL1: 3D structure, binding sites…
- PDB
- 6QZ3
- Type
- protein
- Length
- 558 residues
- Chains
- 1
- 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
- BEZ, CA
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MONO(2-hydroxyethyl) terephthalate hydrolase (EC 3.1.1.102) | protein | 558 | 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
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 | 71 | 0.60 | 0.90 | 24 | BEZ |
| 2 | 126 | 0.41 | 0.76 | 24 | empty |
Modifications
Observed in the structure: 17 modified, 5 disulfide (engineered, disulfide).
Compared structures
- 6QZ3 · 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 6QZ3 · PDBe 6QZ3 · UniProt A0A0K8P8E7
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