MolNFT v1 · #14870 · protein
Thioesterase domain from picromycin polyketide synthase, pH 7.6
1MN6 · Polyketide synthase IV: “Thioesterase domain from picromycin polyketide synthase, pH 7.6”. X-ray diffraction, 4 pockets (best druggability 0.78). MolNFT v1 #14870 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1MN6
- Type
- protein
- Length
- 554 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide synthase IV
- UniProt
- Q9ZGI2
- Pockets
- 4 · 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 | 276 | 38% helix, 14% strand | Q9ZGI2 |
| B | Polyketide synthase IV | protein | 278 | 42% helix, 14% strand | Q9ZGI2 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 657 | 0.78 | 0.83 | 62 | empty |
| 2 | 548 | 0.77 | 0.84 | 47 | empty |
| 3 | 105 | 0.44 | 0.78 | 16 | empty |
| 4 | 75 | 0.41 | 0.79 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 796 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1MN6 · Thioesterase Domain from Picromycin Polyketide Synthase, pH 7.6 · 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 0.97
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 1MN6 · PDBe 1MN6 · UniProt Q9ZGI2
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