Research workbench
Crystal structures of the wild-type, mutant-P1A and inactivated malonate semialdehyde decarboxylase: a structural basis for the decarboxylase and hydratase activities
Analyse Crystal structures of the wild-type, mutant-P1A and inactivated malonate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2AAG
- Type
- protein
- Length
- 775 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Malonate semialdehyde decarboxylase
- EC
- 4.1.1.-
- UniProt
- Q9EV83
- Pockets
- 4 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E, F | Malonate semialdehyde decarboxylase (EC 4.1.1.-) | protein | 129 | 40% helix, 27% strand | Q9EV83 |
| B | Malonate semialdehyde decarboxylase (EC 4.1.1.-) | protein | 130 | 39% helix, 25% strand | Q9EV83 |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 386 | 0.84 | 0.93 | 42 | empty |
| 2 | 185 | 0.81 | 0.96 | 28 | empty |
| 3 | 165 | 0.80 | 0.96 | 28 | empty |
| 4 | 78 | 0.32 | 0.74 | 25 | empty |
Interfaces
15 interfaces between chains.
- A–C · 1452 Ų buried · 31 hydrogen bonds · protein-protein
- D–E · 1449 Ų buried · 29 hydrogen bonds · protein-protein
- B–C · 1445 Ų buried · 33 hydrogen bonds · protein-protein
- D–F · 1443 Ų buried · 32 hydrogen bonds · protein-protein
- E–F · 1441 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 2AAG · Crystal Structures of the Wild-type, Mutant-P1A and Inactivated Malonate Semialdehyde… · 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 Q9EV83
- Elsewhere: RCSB PDB 2AAG · PDBe 2AAG · UniProt Q9EV83
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