Research workbench
Thioesterase domain of picromycin polyketide synthase (pics te), pH 8.4
Analyse Thioesterase domain of picromycin polyketide synthase (pics te), pH 8.4 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1MNQ
- Type
- protein
- Length
- 552 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide synthase IV
- UniProt
- Q9ZGI2
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyketide synthase IV | protein | 275 | 39% helix, 14% strand | Q9ZGI2 |
| B | Polyketide synthase IV | protein | 277 | 42% helix, 14% strand | Q9ZGI2 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 656 | 0.78 | 0.83 | 48 | empty |
| 2 | 573 | 0.77 | 0.83 | 53 | empty |
| 3 | 92 | 0.45 | 0.79 | 23 | empty |
| 4 | 78 | 0.44 | 0.81 | 17 | empty |
| 5 | 79 | 0.42 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 771 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1MNQ · Thioesterase Domain of Picromycin Polyketide Synthase (PICS TE), pH 8.4 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9ZGI2 · AlphaFold monomer V2.0 prediction for NARBONOLIDE/10-deoxymethynolide synthase PIKA4… · a predicted model of the same protein · chain B against A, TM-score 0.96
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 Q9ZGI2
- Elsewhere: RCSB PDB 1MNQ · PDBe 1MNQ · UniProt Q9ZGI2
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