Research workbench
Crystal structure of apple acc synthase in complex with [2-(amino- OXY)ETHYL](5'-deoxyadenosin-5'-YL)(METHYL)SULFONIUM
Analyse Crystal structure of apple acc synthase in complex with [2-(amino… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1M4N
- Type
- protein
- Length
- 421 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1-aminocyclopropane-1-carboxylate synthase
- EC
- 4.4.1.14
- UniProt
- P37821
- Ligands
- PLP, AAD
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 1-aminocyclopropane-1-carboxylate synthase (EC 4.4.1.14) | protein | 421 | 46% helix, 16% strand | P37821 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · chains A
- AAD · (2-aminooxy-ethyl)-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-methyl-sulfonium · ligand · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 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 | 87 | 0.63 | 0.90 | 32 | empty |
| 2 | 238 | 0.59 | 0.80 | 36 | PLP, AAD, MES |
| 3 | 59 | 0.38 | 0.79 | 11 | empty |
Compared structures
- 1M4N · Crystal structure of apple acc synthase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P37821 · AlphaFold monomer V2.0 prediction for 1-aminocyclopropane-1-carboxylate synthase (P37821) · 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 P37821
- Elsewhere: RCSB PDB 1M4N · PDBe 1M4N · UniProt P37821
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