MolNFT v1 · #1658 · protein
1-aminocyclopropane-1-carboxylate synthase
1B8G · Protein (1-aminocyclopropane-1-carboxylate synthase): “1-aminocyclopropane-1-carboxylate synthase”. X-ray diffraction, 1 ligand (PLP), 12 pockets (best druggability 0.75). MolNFT v1 #1658 on GenesisL1: 3D structure, binding sites…
- PDB
- 1B8G
- Type
- protein
- Length
- 846 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (1-aminocyclopropane-1-carboxylate synthase)
- EC
- 4.4.1.14
- UniProt
- P37821
- Ligands
- PLP
- Pockets
- 12 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (1-aminocyclopropane-1-carboxylate synthase) (EC 4.4.1.14) | protein | 421 | 46% helix, 16% strand | P37821 |
| B | Protein (1-aminocyclopropane-1-carboxylate synthase) (EC 4.4.1.14) | protein | 425 | 47% helix, 15% strand | P37821 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 696 | 0.75 | 0.80 | 48 | PLP |
| 2 | 634 | 0.71 | 0.79 | 49 | PLP |
| 3 | 75 | 0.66 | 0.93 | 24 | empty |
| 4 | 87 | 0.61 | 0.89 | 31 | empty |
| 5 | 116 | 0.44 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 2834 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
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 1B8G · PDBe 1B8G · UniProt P37821
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