Research workbench
Crystal structure of the mycobacterium tuberculosis crotonase in apo form
Analyse Crystal structure of the mycobacterium tuberculosis crotonase in apo form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3PZK
- Type
- protein
- Length
- 749 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- E enoyl-CoA hydratase ECHA8
- EC
- 4.2.1.17
- UniProt
- P64016
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 50% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | E enoyl-CoA hydratase ECHA8 (EC 4.2.1.17) | protein | 244 | 48% helix, 18% strand | P64016 |
| B | E enoyl-CoA hydratase ECHA8 (EC 4.2.1.17) | protein | 253 | 51% helix, 18% strand | P64016 |
| C | E enoyl-CoA hydratase ECHA8 (EC 4.2.1.17) | protein | 252 | 51% helix, 17% strand | P64016 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 533 | 0.80 | 0.86 | 77 | SO4 |
| 2 | 209 | 0.66 | 0.85 | 42 | empty |
| 3 | 139 | 0.61 | 0.85 | 33 | empty |
| 4 | 261 | 0.57 | 0.78 | 37 | SO4 |
| 5 | 163 | 0.56 | 0.81 | 33 | empty |
Interfaces
3 interfaces between chains.
- A–C · 2158 Ų buried · 30 hydrogen bonds · protein-protein
- B–C · 2137 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 1868 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 3PZK · Crystal Structure of the Mycobacterium tuberculosis crotonase in apo form · 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 P64016
- Elsewhere: RCSB PDB 3PZK · PDBe 3PZK · UniProt P64016
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