Research workbench
Crystal Structure of E81Q mutant of MtNAS in complex with S-ADENOSYLMETHIONINE
Analyse Crystal Structure of E81Q mutant of MtNAS in complex with S-ADENOSYLMETHIONINE in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FPJ
- Type
- protein
- Length
- 522 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
- SAM, BR
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · resolution 1.8 · 2 distinct chains · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative uncharacterized protein | protein | 257 | 51% helix, 16% strand | O26771 |
| B | Putative uncharacterized protein | protein | 265 | 51% helix, 15% strand | O26771 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · 2 copies · chains A, B
- BR · Bromide ion · ion · 3 copies · chains A, B
- B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 288 | 0.77 | 0.89 | 41 | SAM |
| 2 | 317 | 0.75 | 0.87 | 46 | SAM |
| 3 | 584 | 0.70 | 0.79 | 68 | BR |
| 4 | 53 | 0.32 | 0.77 | 14 | empty |
| 5 | 60 | 0.30 | 0.74 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 757 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3FPJ · Crystal structure of E81Q mutant of mtnas in complex with S- adenosylmethionine · 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 3FPJ · PDBe 3FPJ · UniProt O26771
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