Research workbench
Apo structure of the mtb enoyol CoA isomerase (RV0632C)
Analyse Apo structure of the mtb enoyol CoA isomerase (RV0632C) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FN7
- Type
- protein
- Length
- 687 residues
- Chains
- 3
- 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
- CL
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 51% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-CoA HYDRATASE/ISOMERASE family protein (EC 4.2.1.17) | protein | 231 | 52% helix, 16% strand | P96907 |
| B | Enoyl-CoA HYDRATASE/ISOMERASE family protein (EC 4.2.1.17) | protein | 226 | 50% helix, 16% strand | P96907 |
| C | Enoyl-CoA HYDRATASE/ISOMERASE family protein (EC 4.2.1.17) | protein | 230 | 52% helix, 16% strand | P96907 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 497 | 0.70 | 0.80 | 47 | empty |
| 2 | 402 | 0.68 | 0.80 | 49 | empty |
| 3 | 152 | 0.54 | 0.80 | 27 | empty |
| 4 | 55 | 0.42 | 0.82 | 14 | empty |
| 5 | 54 | 0.40 | 0.81 | 22 | empty |
Interfaces
3 interfaces between chains.
- A–B · 985 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 930 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 888 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 4FN7 · Apo Structure of the Mtb enoyol CoA isomerase (Rv0632c) · 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 4FN7 · PDBe 4FN7 · UniProt P96907
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