MolNFT v1 · #77809 · protein
The crystal structure of a glycosyl hydrolases (gh) family protein 16 from mycobacterium smegmatis str. MC2 155
3RQ0 · Glycosyl hydrolases family protein 16: “The crystal structure of a glycosyl hydrolases (gh) family protein 16 from mycobacterium smegmatis str. MC2…”. X-ray diffraction, 3 ligands (211, CA, PO4), 1 pocket (best druggability 0.52).…
- PDB
- 3RQ0
- Type
- protein
- Length
- 230 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycosyl hydrolases family protein 16
- UniProt
- A0R351
- Ligands
- 211, CA, PO4
- Pockets
- 1 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycosyl hydrolases family protein 16 | protein | 230 | 4% helix, 45% strand | A0R351 |
Ligands and binding sites
- 211 · 2,2',2''-nitrilotriethanol · ligand · chains A
- CA · Calcium ion · metal · chains A
- PO4 · Phosphate ion · ion · chains A
- PG4 · Tetraethylene glycol · additive · 5 copies · chains A
- GOL · Glycerol · additive · 5 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 262 | 0.52 | 0.75 | 39 | PG4, GOL |
Modifications
Observed in the structure: 2 modified (engineered).
Compared structures
- 3RQ0 · The crystal structure of a glycosyl hydrolases (GH) family protein 16 from Mycobacterium… · 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 A0R351
- Elsewhere: RCSB PDB 3RQ0 · PDBe 3RQ0 · UniProt A0R351
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