MolNFT v1 · #176415 · protein
Crystal structure of arabidopsis ACS7 mutant in complex with ppg
7DLY · 1-aminocyclopropane-1-carboxylate synthase 7: “Crystal structure of arabidopsis ACS7 mutant in complex with ppg”. X-ray diffraction, 1 ligand (PPG), 3 pockets (best druggability 0.70). MolNFT v1 #176415 on GenesisL1: 3D structure…
- PDB
- 7DLY
- Type
- protein
- Length
- 801 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1-aminocyclopropane-1-carboxylate synthase 7
- EC
- 4.4.1.14
- UniProt
- Q9STR4
- Ligands
- PPG
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 1-aminocyclopropane-1-carboxylate synthase 7 (EC 4.4.1.14) | protein | 400 | 44% helix, 16% strand | Q9STR4 |
| B | 1-aminocyclopropane-1-carboxylate synthase 7 (EC 4.4.1.14) | protein | 401 | 44% helix, 15% strand | Q9STR4 |
Ligands and binding sites
- PPG · (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid · ligand · 2 copies · chains A, B
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 | 608 | 0.70 | 0.79 | 56 | PPG |
| 2 | 549 | 0.69 | 0.79 | 49 | PPG |
| 3 | 157 | 0.44 | 0.75 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 2466 Ų buried · 47 hydrogen bonds · protein-protein
Compared structures
- 7DLY · Crystal structure of Arabidopsis ACS7 mutant in complex with PPG · the same entry in another collection · chain A against A, TM-score 1.00
- Q9STR4 · AlphaFold monomer V2.0 prediction for 1-aminocyclopropane-1-carboxylate synthase 7… · a predicted model of the same protein · chain A 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 Q9STR4
- Elsewhere: RCSB PDB 7DLY · PDBe 7DLY · UniProt Q9STR4
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