Research workbench
Crystal structure of aminoaldehyde dehydrogenase 1A from zea mays (ZMAMADH1A)
Analyse Crystal structure of aminoaldehyde dehydrogenase 1A from zea mays (ZMAMADH1A) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4I8P
- Type
- protein
- Length
- 998 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminoaldehyde dehydrogenase 1
- EC
- 1.2.1.19
- UniProt
- C0P9J6
- Ligands
- NAD, NA
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminoaldehyde dehydrogenase 1 (EC 1.2.1.19) | protein | 500 | 41% helix, 20% strand | C0P9J6 |
| B | Aminoaldehyde dehydrogenase 1 (EC 1.2.1.19) | protein | 498 | 41% helix, 20% strand | C0P9J6 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1101 | 0.84 | 0.85 | 108 | empty |
| 2 | 267 | 0.72 | 0.86 | 35 | EDO |
| 3 | 212 | 0.70 | 0.86 | 28 | EDO |
| 4 | 378 | 0.66 | 0.80 | 43 | NAD |
| 5 | 390 | 0.66 | 0.79 | 42 | NAD |
Interfaces
1 interface between chains.
- A–B · 3968 Ų buried · 54 hydrogen bonds · protein-protein
Compared structures
- 4I8P · Crystal structure of aminoaldehyde dehydrogenase 1a from Zea mays (ZmAMADH1a) · the same entry in another collection · 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 C0P9J6
- Elsewhere: RCSB PDB 4I8P · PDBe 4I8P · UniProt C0P9J6
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