MolNFT v1 · #10391 · protein
(R)-hydratase from a. caviae involved in pha biosynthesis
1IQ6 · (R)-specific enoyl-CoA hydratase: “(R)-hydratase from a. caviae involved in pha biosynthesis”. X-ray diffraction, 2 pockets (best druggability 0.68). MolNFT v1 #10391 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1IQ6
- Type
- protein
- Length
- 265 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- (R)-specific enoyl-CoA hydratase
- EC
- 4.2.1.17
- UniProt
- O32472
- Pockets
- 2 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | (R)-specific enoyl-CoA hydratase (EC 4.2.1.17) | protein | 132 | 25% helix, 36% strand | O32472 |
| B | (R)-specific enoyl-CoA hydratase (EC 4.2.1.17) | protein | 133 | 25% helix, 36% strand | O32472 |
Ligands and binding sites
- IPA · Isopropyl alcohol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.68 | 0.89 | 26 | empty |
| 2 | 108 | 0.68 | 0.90 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1491 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 1IQ6 · (R)-hydratase from a. caviae involved in pha biosynthesis · the same entry in another collection · chain A against A, TM-score 1.00
- O32472 · AlphaFold monomer V2.0 prediction for (R)-specific enoyl-CoA hydratase (O32472) · 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 O32472
- Elsewhere: RCSB PDB 1IQ6 · PDBe 1IQ6 · UniProt O32472
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