MolNFT v1 · #76673 · 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 1-deoxymannojirimycin complex
3QRY · Putative uncharacterized protein: “Analysis of a new family of widely distributed metal-independent alpha mannosidases provides unique insight…”. X-ray diffraction, 1 ligand (DMJ), 8 pockets (best druggability 0.61). MolNFT v1…
- PDB
- 3QRY
- 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
- DMJ
- Pockets
- 8 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Putative uncharacterized protein | protein | 426 | 47% helix, 12% strand | Q97NA8 |
Ligands and binding sites
- DMJ · 1-deoxymannojirimycin · ligand · 2 copies · chains B, A
- EDO · 1,2-ethanediol · additive · 6 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 294 | 0.61 | 0.79 | 42 | empty |
| 2 | 381 | 0.56 | 0.74 | 47 | empty |
| 3 | 185 | 0.53 | 0.78 | 19 | empty |
| 4 | 204 | 0.52 | 0.77 | 25 | EDO |
| 5 | 114 | 0.52 | 0.82 | 23 | DMJ |
Interfaces
1 interface between chains.
- B–A · 564 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3QRY · Analysis of a new family of widely distributed metal-independent alpha mannosidases… · the same entry in another collection · chain B against B, 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 3QRY · PDBe 3QRY · UniProt Q97NA8
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