Research workbench
Crystal Structure of E81Q mutant of MtNAS in complex with L-Glutamate
Analyse Crystal Structure of E81Q mutant of MtNAS in complex with L-Glutamate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FPH
- Type
- protein
- Length
- 528 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.8
- Source
- Methanothermobacter thermautotrophicus
- Molecule
- Putative uncharacterized protein
- UniProt
- O26771
- Ligands
- GLU, NA
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · resolution 1.8 · 1 distinct chain · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative uncharacterized protein | protein | 264 | 51% helix, 15% strand | O26771 |
Ligands and binding sites
- GLU · Glutamic acid · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 305 | 0.78 | 0.89 | 44 | GLU, NA |
| 2 | 307 | 0.78 | 0.89 | 46 | GLU, NA |
| 3 | 612 | 0.71 | 0.79 | 65 | empty |
| 4 | 68 | 0.38 | 0.79 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 749 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3FPH · Crystal structure of E81Q mutant of mtnas in complex with L-glutamate · 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 O26771
- Elsewhere: RCSB PDB 3FPH · PDBe 3FPH · UniProt O26771
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