MolNFT v1 · #77170 · protein
Crystal structure of a probable 2-hydroxyhepta-2,4-diene-1, 7- dioateisomerase from mycobacterium abscessus
3R6O · 2-hydroxyhepta-2,4-diene-1, 7-dioateisomerase: “Crystal structure of a probable 2-hydroxyhepta-2,4-diene-1, 7- dioateisomerase from mycobacterium abscessus”. X-ray diffraction, 2 ligands (MG, CL), 3 pockets (best druggability 0.39).…
- PDB
- 3R6O
- Type
- protein
- Length
- 265 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-hydroxyhepta-2,4-diene-1, 7-dioateisomerase
- UniProt
- B1MJ53
- Ligands
- MG, CL
- Pockets
- 3 · best druggability 0.39
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-hydroxyhepta-2,4-diene-1, 7-dioateisomerase | protein | 265 | 20% helix, 34% strand | B1MJ53 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 84 | 0.39 | 0.77 | 18 | empty |
| 2 | 77 | 0.35 | 0.76 | 18 | empty |
| 3 | 57 | 0.29 | 0.75 | 21 | empty |
Compared structures
- 3R6O · Crystal structure of a probable 2-hydroxyhepta-2,4-diene-1, 7-dioateisomerase from… · 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 B1MJ53
- Elsewhere: RCSB PDB 3R6O · PDBe 3R6O · UniProt B1MJ53
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