Research workbench
Crystal structure of a probable enoyl-CoA HYDRATASE/ISOMERASE from mycobacterium abscessus
Analyse Crystal structure of a probable enoyl-CoA HYDRATASE/ISOMERASE from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SWX
- Type
- protein
- Length
- 775 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable enoyl-CoA HYDRATASE/ISOMERASE
- UniProt
- B1MM02
- Pockets
- 9 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable enoyl-CoA HYDRATASE/ISOMERASE | protein | 257 | 47% helix, 16% strand | B1MM02 |
| B, C | Probable enoyl-CoA HYDRATASE/ISOMERASE | protein | 259 | 46% helix, 16% strand | B1MM02 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 589 | 0.83 | 0.88 | 71 | empty |
| 2 | 348 | 0.73 | 0.84 | 45 | EDO |
| 3 | 172 | 0.72 | 0.90 | 26 | GOL |
| 4 | 171 | 0.68 | 0.87 | 20 | empty |
| 5 | 59 | 0.65 | 0.94 | 14 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1738 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1588 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 1565 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 3SWX · Crystal structure of a probable enoyl-CoA hydratase/isomerase from Mycobacterium abscessus · 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 B1MM02
- Elsewhere: RCSB PDB 3SWX · PDBe 3SWX · UniProt B1MM02
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