MolNFT v1 · #176101 · protein
Crystal structure of the peroxisomal acyl-CoA hydrolase mpah
7DBI · Acyl-CoA hydrolase mpah': “Crystal structure of the peroxisomal acyl-CoA hydrolase mpah”. X-ray diffraction, 20 pockets (best druggability 0.85). MolNFT v1 #176101 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7DBI
- Type
- protein
- Length
- 1,675 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-CoA hydrolase mpah'
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Acyl-CoA hydrolase mpah' | protein | 420 | 39% helix, 17% strand | — |
| B | Acyl-CoA hydrolase mpah' | protein | 417 | 40% helix, 18% strand | — |
| D | Acyl-CoA hydrolase mpah' | protein | 418 | 39% helix, 17% strand | — |
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 778 | 0.85 | 0.88 | 97 | empty |
| 2 | 531 | 0.81 | 0.87 | 49 | empty |
| 3 | 558 | 0.81 | 0.87 | 48 | empty |
| 4 | 607 | 0.81 | 0.86 | 74 | empty |
| 5 | 1169 | 0.80 | 0.81 | 107 | empty |
Interfaces
4 interfaces between chains.
- A–D · 4138 Ų buried · 59 hydrogen bonds · protein-protein
- B–C · 4097 Ų buried · 54 hydrogen bonds · protein-protein
- A–B · 865 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 822 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 48 modified (engineered).
Compared structures
- 7DBI · Crystal structure of the peroxisomal acyl-CoA hydrolase MpaH · 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 7DBI · PDBe 7DBI
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.