MolNFT v2 · #63961 · protein
Crystal Structure of E81Q mutant of MtNAS
3FPG · Putative uncharacterized protein: “Crystal Structure of E81Q mutant of MtNAS”. X-ray diffraction at 2, 1 ligand (BR), 5 pockets (best druggability 0.75). MolNFT v2 #63961 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3FPG
- Type
- protein
- Length
- 528 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2
- Source
- Methanothermobacter thermautotrophicus
- Molecule
- Putative uncharacterized protein
- UniProt
- O26771
- Ligands
- BR
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · resolution 2 · 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
- BR · Bromide ion · ion · 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 | 320 | 0.75 | 0.86 | 46 | empty |
| 2 | 293 | 0.72 | 0.85 | 41 | empty |
| 3 | 538 | 0.69 | 0.79 | 62 | BR |
| 4 | 92 | 0.43 | 0.79 | 16 | empty |
| 5 | 54 | 0.31 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 770 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3FPG · Crystal structure of E81Q mutant of mtnas · 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 3FPG · PDBe 3FPG · UniProt O26771
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