Research workbench
Crystal structure of probable enoyl-CoA hydratase ECHA3 (RV0632C, nysgrc-019494) from mycobacterium tuberculosis H37RV
Analyse Crystal structure of probable enoyl-CoA hydratase ECHA3 (RV0632C… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HC8
- Type
- protein
- Length
- 467 residues
- Chains
- 2
- 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
- SO4
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-CoA HYDRATASE/ISOMERASE family protein (EC 4.2.1.17) | protein | 236 | 55% helix, 16% strand | P96907 |
| B | Enoyl-CoA HYDRATASE/ISOMERASE family protein (EC 4.2.1.17) | protein | 231 | 53% helix, 16% strand | P96907 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 235 | 0.60 | 0.80 | 26 | empty |
| 2 | 150 | 0.53 | 0.79 | 23 | empty |
| 3 | 69 | 0.33 | 0.76 | 22 | EDO |
Interfaces
1 interface between chains.
- A–B · 284 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 4HC8 · CRYSTAL STRUCTURE OF PROBABLE ENOYL-CoA HYDRATASE ECHA3 (Rv0632c, NYSGRC-019494) from… · 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 4HC8 · PDBe 4HC8 · UniProt P96907
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