MolNFT v1 · #76696 · protein
Analysis of a new family of widely distributed metal-independent alpha mannosidases provides unique insight into the processing of N-linked glycans, streptococcus pneumoniae SP_2144 non-productive substrate complex with alpha-1,6-mannobiose
3QSP · Putative uncharacterized protein: “Analysis of a new family of widely distributed metal-independent alpha mannosidases provides unique insight…”. X-ray diffraction, 2 ligands (BMA, MAN), 5 pockets (best druggability 0.72). MolNFT v1…
- PDB
- 3QSP
- Type
- protein
- Length
- 852 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein
- UniProt
- Q97NA8
- Ligands
- BMA, MAN
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative uncharacterized protein | protein | 426 | 46% helix, 12% strand | Q97NA8 |
Ligands and binding sites
- BMA · beta-D-mannopyranose · sugar · 2 copies · chains A, B
- MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1009 | 0.72 | 0.76 | 73 | empty |
| 2 | 222 | 0.54 | 0.77 | 26 | empty |
| 3 | 125 | 0.48 | 0.79 | 24 | MAN, EDO |
| 4 | 104 | 0.47 | 0.80 | 24 | MAN |
| 5 | 133 | 0.40 | 0.74 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 553 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 3QSP · Analysis of a new family of widely distributed metal-independent alpha mannosidases… · 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 Q97NA8
- Elsewhere: RCSB PDB 3QSP · PDBe 3QSP · UniProt Q97NA8
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