MolNFT v1 · #139446 · protein
Crystal structure of a novel pet hydrolase from ideonella sakaiensis 201-F6
5XG0 · POLY(ETHYLENE terephthalate) hydrolase: “Crystal structure of a novel pet hydrolase from ideonella sakaiensis 201-F6”. X-ray diffraction, 4 pockets (best druggability 0.48). MolNFT v1 #139446 on GenesisL1: 3D structure, binding…
- PDB
- 5XG0
- Type
- protein
- Length
- 793 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- POLY(ETHYLENE terephthalate) hydrolase
- EC
- 3.1.1.101
- UniProt
- A0A0K8P6T7
- Pockets
- 4 · best druggability 0.48
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | POLY(ETHYLENE terephthalate) hydrolase (EC 3.1.1.101) | protein | 263 | 30% helix, 22% strand | A0A0K8P6T7 |
| B | POLY(ETHYLENE terephthalate) hydrolase (EC 3.1.1.101) | protein | 262 | 31% helix, 22% strand | A0A0K8P6T7 |
| C | POLY(ETHYLENE terephthalate) hydrolase (EC 3.1.1.101) | protein | 268 | 29% helix, 22% strand | A0A0K8P6T7 |
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 177 | 0.48 | 0.76 | 26 | empty |
| 2 | 136 | 0.43 | 0.75 | 25 | empty |
| 3 | 142 | 0.41 | 0.75 | 24 | empty |
| 4 | 108 | 0.37 | 0.75 | 19 | empty |
Interfaces
2 interfaces between chains.
- A–C · 646 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 646 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 5XG0 · Crystal structure of a novel PET hydrolase from Ideonella sakaiensis 201-F6 · 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 A0A0K8P6T7
- Elsewhere: RCSB PDB 5XG0 · PDBe 5XG0 · UniProt A0A0K8P6T7
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