MolNFT v1 · #14773 · protein
Escherichia COLI beta-hydroxydecanoyl thiol ester dehydrase at pH 5 and 21 degrees C
1MKB: “Escherichia COLI beta-hydroxydecanoyl thiol ester dehydrase at pH 5 and 21 degrees C”. X-ray diffraction, 4 pockets (best druggability 0.79). MolNFT v1 #14773 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1MKB
- Type
- protein
- Length
- 342 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-hydroxydecanoyl thiol ester dehydrase
- EC
- 4.2.1.60
- UniProt
- P0A6Q3
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-hydroxydecanoyl thiol ester dehydrase (EC 4.2.1.60) | protein | 171 | 20% helix, 37% strand | P0A6Q3 |
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 | 103 | 0.79 | 0.98 | 29 | empty |
| 2 | 106 | 0.78 | 0.98 | 29 | empty |
| 3 | 60 | 0.34 | 0.77 | 13 | empty |
| 4 | 58 | 0.33 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1629 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 1MKB · Escherichia COLI beta-hydroxydecanoyl thiol ester dehydrase at pH 5 and 21 degrees C · the same entry in another collection · chain A against A, TM-score 1.00
- P0A6Q3 · AlphaFold monomer V2.0 prediction for 3-hydroxydecanoyl-[acyl- carrier-protein]… · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P0A6Q3
- Elsewhere: RCSB PDB 1MKB · PDBe 1MKB · UniProt P0A6Q3
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