MolNFT v1 · #63989 · protein
Gabaculien complex of gabaculine resistant gsam version
3FQA · Glutamate-1-semialdehyde 2,1-aminomutase: “Gabaculien complex of gabaculine resistant gsam version”. X-ray diffraction, 2 ligands (PMP, GAB), 8 pockets (best druggability 0.82). MolNFT v1 #63989 on GenesisL1: 3D structure, binding…
- PDB
- 3FQA
- Type
- protein
- Length
- 852 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate-1-semialdehyde 2,1-aminomutase
- EC
- 5.4.3.8
- UniProt
- P24630
- Ligands
- PMP, GAB
- Pockets
- 8 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutamate-1-semialdehyde 2,1-aminomutase (EC 5.4.3.8) | protein | 426 | 42% helix, 16% strand | P24630 |
Ligands and binding sites
- PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- GAB · 3-aminobenzoic acid · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 168 | 0.82 | 0.98 | 35 | PMP, GAB |
| 2 | 173 | 0.82 | 0.97 | 41 | PMP |
| 3 | 70 | 0.77 | 0.99 | 22 | empty |
| 4 | 69 | 0.76 | 0.99 | 23 | empty |
| 5 | 52 | 0.71 | 0.99 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 4783 Ų buried · 59 hydrogen bonds · protein-protein
Compared structures
- 3FQA · Gabaculien complex of gabaculine resistant GSAM version · the same entry in another collection · chain A against A, TM-score 1.00
- P24630 · AlphaFold monomer V2.0 prediction for glutamate-1-semialdehyde 2,1-aminomutase (P24630) · 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 P24630
- Elsewhere: RCSB PDB 3FQA · PDBe 3FQA · UniProt P24630
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