MolNFT v1 · #102244 · protein
Crystal structure of a putative enoyl-CoA hydratase from novosphingobium aromaticivorans dsm 12444
4OG1 · Enoyl-CoA HYDRATASE/ISOMERASE: “Crystal structure of a putative enoyl-CoA hydratase from novosphingobium aromaticivorans dsm 12444”. X-ray diffraction, 2 pockets (best druggability 0.40). MolNFT v1 #102244 on GenesisL1: 3D…
- PDB
- 4OG1
- Type
- protein
- Length
- 257 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA HYDRATASE/ISOMERASE
- EC
- 4.2.1.17
- UniProt
- Q2GB23
- Pockets
- 2 · best druggability 0.40
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-CoA HYDRATASE/ISOMERASE (EC 4.2.1.17) | protein | 257 | 45% helix, 18% strand | Q2GB23 |
Ligands and binding sites
- PE8 · 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 117 | 0.40 | 0.75 | 27 | empty |
| 2 | 130 | 0.39 | 0.74 | 23 | empty |
Compared structures
- 4OG1 · Crystal Structure of a Putative Enoyl-CoA Hydratase from Novosphingobium aromaticivorans… · 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 Q2GB23
- Elsewhere: RCSB PDB 4OG1 · PDBe 4OG1 · UniProt Q2GB23
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