MolNFT v1 · #152825 · protein
Crystal structure of enoyl-CoA hydratase (ech) from ralstonia eutropha H16
6IUM · Enoyl-CoA HYDRATASE/DELTA(3)-cis-DELTA(2)-trans-enoyl-CoA…: “Crystal structure of enoyl-CoA hydratase (ech) from ralstonia eutropha H16”. X-ray diffraction, 1 ligand (PO4), 17 pockets (best druggability 0.77). MolNFT v1 #152825 on…
- PDB
- 6IUM
- Type
- protein
- Length
- 1,384 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA HYDRATASE/DELTA(3)-cis-DELTA(2)-trans-enoyl-CoA isomerase
- UniProt
- Q0KBG3
- Ligands
- PO4
- Pockets
- 17 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Enoyl-CoA HYDRATASE/DELTA(3)-cis-DELTA(2)-trans-enoyl-CoA isomerase | protein | 692 | 52% helix, 12% strand | Q0KBG3 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 864 | 0.77 | 0.80 | 78 | GOL |
| 2 | 849 | 0.76 | 0.80 | 65 | GOL |
| 3 | 588 | 0.75 | 0.81 | 49 | GOL |
| 4 | 508 | 0.73 | 0.81 | 40 | empty |
| 5 | 390 | 0.62 | 0.77 | 36 | empty |
Interfaces
1 interface between chains.
- B–A · 731 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6IUM · Crystal structure of enoyl-CoA hydratase (ECH) from Ralstonia eutropha H16 · the same entry in another collection · chain B against B, 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 Q0KBG3
- Elsewhere: RCSB PDB 6IUM · PDBe 6IUM · UniProt Q0KBG3
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