MolNFT v1 · #115631 · protein
R-hydratase PHAJ1 from pseudomonas aeruginosa in the unliganded form
5CPG · (R)-specific enoyl-CoA hydratase: “R-hydratase PHAJ1 from pseudomonas aeruginosa in the unliganded form”. X-ray diffraction, 2 pockets (best druggability 0.70). MolNFT v1 #115631 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5CPG
- Type
- protein
- Length
- 310 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- (R)-specific enoyl-CoA hydratase
- EC
- 4.2.1.119
- UniProt
- Q9LBK2
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | (R)-specific enoyl-CoA hydratase (EC 4.2.1.119) | protein | 155 | 20% helix, 36% strand | Q9LBK2 |
Ligands and binding sites
- GOL · Glycerol · additive · 8 copies · chains A, B
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 | 352 | 0.70 | 0.82 | 39 | GOL |
| 2 | 312 | 0.67 | 0.81 | 36 | GOL |
Interfaces
1 interface between chains.
- A–B · 1971 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 5CPG · R-Hydratase PhaJ1 from Pseudomonas aeruginosa in the unliganded form · the same entry in another collection · chain A against A, TM-score 1.00
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 Q9LBK2
- Elsewhere: RCSB PDB 5CPG · PDBe 5CPG · UniProt Q9LBK2
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