MolNFT v1 · #14874 · protein
Thioesterase domain of picromycin polyketide synthase (pics te), pH 8.0
1MNA · Polyketide synthase IV: “Thioesterase domain of picromycin polyketide synthase (pics te), pH 8.0”. X-ray diffraction, 7 pockets (best druggability 0.78). MolNFT v1 #14874 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1MNA
- 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
- 7 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyketide synthase IV | protein | 276 | 41% helix, 14% strand | Q9ZGI2 |
| B | Polyketide synthase IV | protein | 278 | 41% helix, 14% strand | Q9ZGI2 |
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 598 | 0.78 | 0.84 | 42 | empty |
| 2 | 674 | 0.78 | 0.83 | 49 | empty |
| 3 | 84 | 0.47 | 0.81 | 19 | empty |
| 4 | 107 | 0.47 | 0.80 | 27 | empty |
| 5 | 59 | 0.41 | 0.81 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 826 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1MNA · Thioesterase Domain of Picromycin Polyketide Synthase (PICS TE), pH 8.0 · 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 A 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 1MNA · PDBe 1MNA · UniProt Q9ZGI2
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