MolNFT v1 · #108635 · protein
Crystal structure of a putative enoyl-CoA HYDRATASE/ISOMERASE from novosphingobium aromaticivorans
4WCZ: “Crystal structure of a putative enoyl-CoA HYDRATASE/ISOMERASE from novosphingobium aromaticivorans”. X-ray diffraction, 11 pockets (best druggability 0.85). MolNFT v1 #108635 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4WCZ
- Type
- protein
- Length
- 1,495 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA HYDRATASE/ISOMERASE
- UniProt
- A4XEF6
- Pockets
- 11 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 52% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, E | Enoyl-CoA HYDRATASE/ISOMERASE | protein | 249 | 52% helix, 16% strand | A4XEF6 |
| C, F | Enoyl-CoA HYDRATASE/ISOMERASE | protein | 250 | 52% helix, 16% strand | A4XEF6 |
| D | Enoyl-CoA HYDRATASE/ISOMERASE | protein | 248 | 52% helix, 16% strand | A4XEF6 |
Pockets
11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 717 | 0.85 | 0.89 | 63 | empty |
| 2 | 696 | 0.85 | 0.89 | 63 | empty |
| 3 | 362 | 0.78 | 0.87 | 39 | empty |
| 4 | 353 | 0.77 | 0.87 | 41 | empty |
| 5 | 425 | 0.77 | 0.86 | 56 | empty |
Interfaces
9 interfaces between chains.
- D–F · 1870 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1863 Ų buried · 12 hydrogen bonds · protein-protein
- E–F · 1842 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 1838 Ų buried · 12 hydrogen bonds · protein-protein
- D–E · 1838 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 29 modified (engineered).
Compared structures
- 4WCZ · Crystal structure of a putative enoyl-CoA hydratase/isomerase from Novosphingobium… · 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 A4XEF6
- Elsewhere: RCSB PDB 4WCZ · PDBe 4WCZ · UniProt A4XEF6
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