MolNFT v1 · #67881 · protein
Crystal structure of the GLY74CYS-CYS188SER mutant of arylmalonate decarboxylase in the liganded form
3IXL: “Crystal structure of the GLY74CYS-CYS188SER mutant of arylmalonate decarboxylase in the liganded form”. X-ray diffraction, 2 ligands (PAC, SO4), 1 pocket (best druggability 0.63). MolNFT v1 #67881 on GenesisL1: 3D structure, binding…
- PDB
- 3IXL
- Type
- protein
- Length
- 235 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arylmalonate decarboxylase
- EC
- 4.1.1.76
- UniProt
- Q05115
- Ligands
- PAC, SO4
- Pockets
- 1 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Arylmalonate decarboxylase (EC 4.1.1.76) | protein | 235 | 48% helix, 17% strand | Q05115 |
Ligands and binding sites
- PAC · 2-phenylacetic acid · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 158 | 0.63 | 0.85 | 26 | PAC |
Modifications
Observed in the structure: 1 modified (artifact).
Compared structures
- 3IXL · Crystal structure of the Gly74Cys-Cys188Ser mutant of arylmalonate decarboxylase in the… · the same entry in another collection · chain A against A, TM-score 1.00
- Q05115 · AlphaFold monomer V2.0 prediction for arylmalonate decarboxylase (Q05115) · a predicted model of the same protein · 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 Q05115
- Elsewhere: RCSB PDB 3IXL · PDBe 3IXL · UniProt Q05115
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