Structure of PDB 1ww4 Chain B Binding Site BS02

Receptor Information

>1ww4 Chain B (length=160) Species: 64608 (Agrocybe cylindracea)

TTSAVNIYNISAGASVDLAAPVTTGDIVTFFSSALNLSAGAGSPNNTALN
LLSENGAYLLHIAFRLQENVIVFNSRQPNAPWLVEQRVSNVANQFIGSGG
KAMVTVFDHGDKYQVVINEKTVIQYTKQISGTTSSLSYNSTEGTSIFSTV
VEAVTYTGLA

Ligand information

• Ligand ID: GLA
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-PHYPRBDBSA-N
• SMILES:
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-galactopyranose;
  alpha-D-galactose;
  D-galactose;
  galactose;
  ALPHA D-GALACTOSE
• ChEMBL: CHEMBL1233058
• ZINC: ZINC000000901155
• PDB chain: 1ww4 Chain F Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ww4 Structural Basis of a Fungal Galectin from Agrocybe cylindracea for Recognizing Sialoconjugate
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): N46 H62 R66 N75 W83 E86
• Binding residue (residue number reindexed from 1): N45 H61 R65 N74 W82 E85
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.1.21.-

Gene Ontology

Molecular Function

• GO:0004518 nuclease activity
• GO:0004536 DNA nuclease activity
• GO:0030246 carbohydrate binding
• GO:0030247 polysaccharide binding

Biological Process

• GO:0006259 DNA metabolic process
• GO:0006915 apoptotic process
• GO:0043065 positive regulation of apoptotic process

Cellular Component

• GO:0005575 cellular_component

External links

• PDB: RCSB:1ww4, PDBe:1ww4, PDBj:1ww4
• PDBsum: 1ww4
• PubMed: 16051274
• UniProt: Q6WY08|ATLE_CYCAE Anti-tumor lectin (Fragment)