MolNFT v1 · #9912 · protein
Crystal structure of acc synthase complexed with cofactor plp and inhibitor avg
1IAY · 1-aminocyclopropane-1-carboxylate synthase 2: “Crystal structure of acc synthase complexed with cofactor plp and inhibitor avg”. X-ray diffraction, 2 ligands (PLP, AVG), 3 pockets (best druggability 0.64). MolNFT v1 #9912 on…
- 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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