MolNFT v1 · #10411 · protein
Crystal structure of japanese pear S3-RNase
1IQQ: “Crystal structure of japanese pear S3-RNase”. X-ray diffraction, 4 ligands (NAG, BMA, XYP), 4 pockets (best druggability 0.36). MolNFT v1 #10411 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1IQQ
- Type
- protein
- Length
- 200 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S3-RNase
- EC
- 3.1.27.1
- UniProt
- O80323
- Ligands
- NAG, BMA, XYP, MAN
- Pockets
- 4 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S3-RNase (EC 3.1.27.1) | protein | 200 | 31% helix, 21% strand | O80323 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- BMA · beta-D-mannopyranose · sugar
- XYP · beta-D-xylopyranose · sugar
- MAN · alpha-D-mannopyranose · sugar
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 63 | 0.36 | 0.78 | 12 | empty |
| 2 | 65 | 0.33 | 0.76 | 18 | empty |
| 3 | 80 | 0.33 | 0.74 | 20 | empty |
| 4 | 57 | 0.30 | 0.75 | 16 | empty |
Modifications
Observed in the structure: 4 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
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 O80323
- Elsewhere: RCSB PDB 1IQQ · PDBe 1IQQ · UniProt O80323
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.