MolNFT v1 · #57948 · protein
Crystal structure of ethanolamine ammonia-lyase from escherichia COLI complexed with cn-cbl and (S)-2-amino-1-propanol
3AO0 · Ethanolamine ammonia-lyase heavy chain: “Crystal structure of ethanolamine ammonia-lyase from escherichia COLI complexed with cn-cbl and…”. X-ray diffraction, 3 ligands (2A1, B12, NA), 16 pockets (best druggability 0.84). MolNFT v1…
- PDB
- 3AO0
- Type
- protein
- Length
- 1,410 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ethanolamine ammonia-lyase heavy chain; Ethanolamine ammonia-lyase light chain
- EC
- 4.3.1.7
- UniProt
- P0AEJ6, P19636
- Ligands
- 2A1, B12, NA
- Pockets
- 16 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Ethanolamine ammonia-lyase heavy chain (EC 4.3.1.7) | protein | 453 | 49% helix, 14% strand | P0AEJ6 |
| B, D | Ethanolamine ammonia-lyase light chain (EC 4.3.1.7) | protein | 252 | 41% helix, 16% strand | P19636 |
Ligands and binding sites
- 2A1 · (2S)-2-aminopropan-1-ol · ligand · 2 copies · chains A, C
- B12 · Cobalamin · ligand · 2 copies · chains A, B, C, D
- NA · Sodium ion · metal · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1027 | 0.84 | 0.85 | 61 | 2A1, B12 |
| 2 | 1062 | 0.84 | 0.85 | 63 | 2A1, B12 |
| 3 | 321 | 0.72 | 0.85 | 46 | empty |
| 4 | 247 | 0.71 | 0.86 | 43 | empty |
| 5 | 135 | 0.59 | 0.84 | 26 | empty |
Interfaces
5 interfaces between chains.
- C–D · 2230 Ų buried · 36 hydrogen bonds · protein-protein
- A–B · 2227 Ų buried · 40 hydrogen bonds · protein-protein
- A–C · 1425 Ų buried · 31 hydrogen bonds · protein-protein
- A–D · 983 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 945 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 3AO0 · Crystal structure of ethanolamine ammonia-lyase from Escherichia coli complexed with… · the same entry in another collection · chain D against D, TM-score 1.00
- P0AEJ6 · AlphaFold monomer V2.0 prediction for ethanolamine ammonia-lyase heavy chain (P0AEJ6) · a predicted model of the same protein · chain A against A, TM-score 1.00
- P19636 · AlphaFold monomer V2.0 prediction for ethanolamine ammonia-lyase light chain (P19636) · a predicted model of the same protein · chain D 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 P0AEJ6
- Every structure of UniProt P19636
- Elsewhere: RCSB PDB 3AO0 · PDBe 3AO0 · UniProt P0AEJ6 · UniProt P19636
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.