Research workbench
Crystal structure of acc synthase complexed with cofactor plp and inhibitor avg
Analyse Crystal structure of acc synthase complexed with cofactor plp and inhibitor avg in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1IAY
- Type
- protein
- Length
- 419 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1-aminocyclopropane-1-carboxylate synthase 2
- EC
- 4.4.1.14
- UniProt
- P18485
- Ligands
- PLP, AVG
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 1-aminocyclopropane-1-carboxylate synthase 2 (EC 4.4.1.14) | protein | 419 | 44% helix, 14% strand | P18485 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · chains A
- AVG · 2-amino-4-(2-amino-ethoxy)-butyric acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 370 | 0.64 | 0.79 | 41 | PLP, AVG |
| 2 | 170 | 0.62 | 0.84 | 39 | empty |
| 3 | 92 | 0.38 | 0.76 | 18 | empty |
Modifications
Observed in the structure: 1 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 1IAY · Crystal structure of acc synthase complexed with cofactor plp and inhibitor avg · the same entry in another collection · chain A against A, TM-score 1.00
- P18485 · AlphaFold monomer V2.0 prediction for 1-aminocyclopropane-1-carboxylate synthase 2… · 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 P18485
- Elsewhere: RCSB PDB 1IAY · PDBe 1IAY · UniProt P18485
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