Research workbench
Crystal structure of enoyl-CoA hydratase from mycobacterium avium
Analyse Crystal structure of enoyl-CoA hydratase from mycobacterium avium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3Q1T
- Type
- protein
- Length
- 1,533 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA hydratase
- UniProt
- A0QIL3
- Pockets
- 17 · best druggability 0.87
Structure
x-ray diffraction · 6 distinct chains · 55% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-CoA hydratase | protein | 253 | 55% helix, 16% strand | A0QIL3 |
| B | Enoyl-CoA hydratase | protein | 251 | 55% helix, 16% strand | A0QIL3 |
| C | Enoyl-CoA hydratase | protein | 257 | 56% helix, 16% strand | A0QIL3 |
| D | Enoyl-CoA hydratase | protein | 261 | 54% helix, 16% strand | A0QIL3 |
| E | Enoyl-CoA hydratase | protein | 252 | 56% helix, 16% strand | A0QIL3 |
| F | Enoyl-CoA hydratase | protein | 259 | 54% helix, 17% strand | A0QIL3 |
Pockets
17 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 496 | 0.87 | 0.94 | 78 | empty |
| 2 | 949 | 0.78 | 0.80 | 94 | empty |
| 3 | 139 | 0.77 | 0.95 | 30 | empty |
| 4 | 166 | 0.77 | 0.94 | 30 | empty |
| 5 | 854 | 0.77 | 0.80 | 78 | empty |
Interfaces
12 interfaces between chains.
- C–D · 1406 Ų buried · 12 hydrogen bonds · protein-protein
- E–F · 1369 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 1350 Ų buried · 13 hydrogen bonds · protein-protein
- A–F · 1324 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 1315 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3Q1T · Crystal structure of enoyl-coA hydratase from Mycobacterium avium · 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 A0QIL3
- Elsewhere: RCSB PDB 3Q1T · PDBe 3Q1T · UniProt A0QIL3
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