MolNFT v1 · #53167 · protein
Crystal structure of the catalytic module of a family 98 glycoside hydrolase from streptococcus pneumoniae SP3-BS71 in complex with the a-trisaccharide blood group antigen.
2WMI · Fucolectin-related protein: “Crystal structure of the catalytic module of a family 98 glycoside hydrolase from streptococcus pneumoniae…”. X-ray diffraction, 3 ligands (GAL, FUC, A2G), 9 pockets (best druggability 0.63). MolNFT v1…
- PDB
- 2WMI
- Type
- protein
- Length
- 1,143 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fucolectin-related protein
- UniProt
- A5LBQ0
- Ligands
- GAL, FUC, A2G
- Pockets
- 9 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fucolectin-related protein | protein | 572 | 33% helix, 25% strand | A5LBQ0 |
| B | Fucolectin-related protein | protein | 571 | 32% helix, 26% strand | A5LBQ0 |
Ligands and binding sites
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
- FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A, B
- A2G · 2-acetamido-2-deoxy-alpha-D-galactopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 314 | 0.63 | 0.80 | 37 | GAL, FUC, A2G |
| 2 | 292 | 0.61 | 0.79 | 38 | GAL, FUC, A2G |
| 3 | 76 | 0.53 | 0.86 | 20 | empty |
| 4 | 128 | 0.47 | 0.79 | 24 | empty |
| 5 | 121 | 0.46 | 0.78 | 23 | empty |
Compared structures
- 2WMI · Crystal structure of the catalytic module of a family 98 glycoside hydrolase from… · 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 A5LBQ0
- Elsewhere: RCSB PDB 2WMI · PDBe 2WMI · UniProt A5LBQ0
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