MolNFT v1 · #99917 · protein
Crystal structure of putative enoyl-CoA HYDRATASE/ISOMERASE from mycobacterium abscessus
4MI2: “Crystal structure of putative enoyl-CoA HYDRATASE/ISOMERASE from mycobacterium abscessus”. X-ray diffraction, 11 pockets (best druggability 0.87). MolNFT v1 #99917 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4MI2
- Type
- protein
- Length
- 782 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative enoyl-CoA HYDRATASE/ISOMERASE
- EC
- 5.3.3.18
- UniProt
- B1MJ43
- Pockets
- 11 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative enoyl-CoA HYDRATASE/ISOMERASE (EC 5.3.3.18) | protein | 260 | 53% helix, 16% strand | B1MJ43 |
| B, C | Putative enoyl-CoA HYDRATASE/ISOMERASE (EC 5.3.3.18) | protein | 261 | 52% helix, 16% strand | B1MJ43 |
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1062 | 0.87 | 0.89 | 108 | empty |
| 2 | 251 | 0.63 | 0.81 | 35 | empty |
| 3 | 243 | 0.63 | 0.81 | 30 | empty |
| 4 | 154 | 0.61 | 0.84 | 25 | empty |
| 5 | 98 | 0.38 | 0.76 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1851 Ų buried · 29 hydrogen bonds · protein-protein
- A–B · 1775 Ų buried · 26 hydrogen bonds · protein-protein
- B–C · 1749 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 4MI2 · Crystal structure of putative 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 B1MJ43
- Elsewhere: RCSB PDB 4MI2 · PDBe 4MI2 · UniProt B1MJ43
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