Research workbench
The structure of a putative enoyl-CoA HYDRATASE/ISOMERASE from mycobacterium abscessus atcc 19977 / dsm 44196
Analyse The structure of a putative enoyl-CoA HYDRATASE/ISOMERASE from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3RSI
- Type
- protein
- Length
- 728 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative enoyl-CoA HYDRATASE/ISOMERASE
- UniProt
- B1MIA8
- Ligands
- IOD
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative enoyl-CoA HYDRATASE/ISOMERASE | protein | 243 | 48% helix, 16% strand | B1MIA8 |
| B | Putative enoyl-CoA HYDRATASE/ISOMERASE | protein | 244 | 46% helix, 16% strand | B1MIA8 |
| C | Putative enoyl-CoA HYDRATASE/ISOMERASE | protein | 241 | 48% helix, 16% strand | B1MIA8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 79 | 0.74 | 0.98 | 29 | IOD |
| 2 | 168 | 0.57 | 0.82 | 30 | IOD |
| 3 | 166 | 0.57 | 0.82 | 29 | IOD |
| 4 | 296 | 0.55 | 0.76 | 32 | IOD |
| 5 | 125 | 0.53 | 0.82 | 26 | empty |
Interfaces
3 interfaces between chains.
- B–C · 4494 Ų buried · 83 hydrogen bonds · protein-protein
- A–C · 1746 Ų buried · 30 hydrogen bonds · protein-protein
- A–B · 1666 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 3RSI · The structure of a 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 B1MIA8
- Elsewhere: RCSB PDB 3RSI · PDBe 3RSI · UniProt B1MIA8
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