Research workbench
Acyl-CoA hydrolase mpah' mutant S139A in complex with mpa
Analyse Acyl-CoA hydrolase mpah' mutant S139A in complex with mpa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7DBL
- Type
- protein
- Length
- 1,678 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-CoA hydrolase mpah'
- Ligands
- MOA
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-CoA hydrolase mpah' | protein | 422 | 39% helix, 18% strand | — |
| B, C | Acyl-CoA hydrolase mpah' | protein | 418 | 39% helix, 17% strand | — |
| D | Acyl-CoA hydrolase mpah' | protein | 420 | 40% helix, 18% strand | — |
Ligands and binding sites
- MOA · Mycophenolic acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 895 | 0.84 | 0.86 | 103 | MOA |
| 2 | 518 | 0.82 | 0.88 | 60 | empty |
| 3 | 545 | 0.81 | 0.87 | 52 | empty |
| 4 | 524 | 0.81 | 0.87 | 50 | empty |
| 5 | 518 | 0.81 | 0.87 | 51 | empty |
Interfaces
4 interfaces between chains.
- C–D · 4122 Ų buried · 56 hydrogen bonds · protein-protein
- A–B · 4114 Ų buried · 57 hydrogen bonds · protein-protein
- B–D · 852 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 830 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 7DBL · Acyl-CoA hydrolase MpaH' mutant S139A in complex with MPA · 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
- Elsewhere: RCSB PDB 7DBL · PDBe 7DBL
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