MolNFT v1 · #91775 · protein
Crystal structure of the mtb enoyl CoA isomerase (RV0632C) in complex with hydroxybutyrl CoA
4FNB · Enoyl-CoA HYDRATASE/ISOMERASE family protein: “Crystal structure of the mtb enoyl CoA isomerase (RV0632C) in complex with hydroxybutyrl CoA”. X-ray diffraction, 2 ligands (3HC, SO4), 1 pocket (best druggability 0.50). MolNFT v1…
- PDB
- 4FNB
- Type
- protein
- Length
- 232 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA HYDRATASE/ISOMERASE family protein
- EC
- 4.2.1.17
- UniProt
- P96907
- Ligands
- 3HC, SO4
- Pockets
- 1 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-CoA HYDRATASE/ISOMERASE family protein (EC 4.2.1.17) | protein | 232 | 50% helix, 16% strand | P96907 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 151 | 0.50 | 0.78 | 26 | empty |
Compared structures
- 4FNB · Crystal structure of the Mtb enoyl CoA isomerase (Rv0632c) in complex with hydroxybutyrl… · 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 P96907
- Elsewhere: RCSB PDB 4FNB · PDBe 4FNB · UniProt P96907
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