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Crystal structure of nicotiana alata gemetophytic self-incompatibility associated SF11-RNase

Analyse Crystal structure of nicotiana alata gemetophytic self-incompatibility… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1IOO
Type
protein
Length
392 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SF11-RNase
UniProt
Q7SID5
Ligands
NAG, MAN, BMA, XYP
Pockets
1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BSF11-RNaseprotein19635% helix, 19% strandQ7SID5

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A, B
  • MAN · alpha-D-mannopyranose · sugar · 3 copies · chains A, B
  • BMA · beta-D-mannopyranose · sugar · 2 copies · chains A
  • XYP · beta-D-xylopyranose · sugar · 2 copies · chains A, B

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19760.770.7994empty

Interfaces

1 interface between chains.

  • A–B · 733 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 1IOO · Crystal structure of nicotiana alata gemetophytic self-incompatibility associated… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q7SID5 · AlphaFold monomer V2.0 prediction for ribonuclease S-F11 (Q7SID5) · a predicted model of the same protein · chain A against A, TM-score 0.99

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