MolNFT v1 · #9911 · protein
Crystal structure of acc synthase complexed with plp
1IAX · 1-aminocyclopropane-1-carboxylate synthase 2: “Crystal structure of acc synthase complexed with plp”. X-ray diffraction, 2 ligands (PLP, SO4), 7 pockets (best druggability 0.76). MolNFT v1 #9911 on GenesisL1: 3D structure, binding…
- PDB
- 1IAX
- Type
- protein
- Length
- 834 residues
- Chains
- 2
- 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, SO4
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 1-aminocyclopropane-1-carboxylate synthase 2 (EC 4.4.1.14) | protein | 417 | 46% helix, 14% strand | P18485 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 864 | 0.76 | 0.80 | 71 | SO4, PLP |
| 2 | 829 | 0.75 | 0.79 | 71 | SO4, PLP |
| 3 | 117 | 0.60 | 0.86 | 32 | empty |
| 4 | 127 | 0.55 | 0.83 | 34 | empty |
| 5 | 114 | 0.42 | 0.76 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 2919 Ų buried · 34 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 1IAX · Crystal structure of acc synthase complexed with plp · 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 B against A, TM-score 0.99
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 1IAX · PDBe 1IAX · UniProt P18485
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