MolNFT v1 · #30816 · protein
Crystal structures of the wild-type, mutant-P1A and inactivated malonate semialdehyde decarboxylase: a structural basis for the decarboxylase and hydratase activities
2AAJ: “Crystal structures of the wild-type, mutant-P1A and inactivated malonate semialdehyde decarboxylase: a…”. X-ray diffraction, 3 pockets (best druggability 0.44). MolNFT v1 #30816 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2AAJ
- Type
- protein
- Length
- 258 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Malonate semialdehyde decarboxylase
- EC
- 4.1.1.-
- UniProt
- Q9EV83
- Pockets
- 3 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Malonate semialdehyde decarboxylase (EC 4.1.1.-) | protein | 129 | 40% helix, 22% strand | Q9EV83 |
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 | 137 | 0.44 | 0.76 | 31 | empty |
| 2 | 60 | 0.34 | 0.77 | 14 | empty |
| 3 | 51 | 0.33 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 398 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2AAJ · 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 2AAJ · PDBe 2AAJ · UniProt Q9EV83
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