Structure of PDB 3wg3 Chain B Binding Site BS01

Receptor Information

>3wg3 Chain B (length=155) Species: 64608 (Agrocybe cylindracea)

HMTTSAVNIYNISAGASVDLAAPVTTGDIVTFFSSALNLPNNTALNLLSE
NGAYLLHIAFRLQENVIVFNSRQPNAPWLVEQRVSNVANQFIGSGGKAMV
TVFDHGDKYQVVINEKTVIQYTKQISGTTSSLSYNSTGTSIFSTVVEAVT
YTGLA

Ligand information

• Ligand ID: GAL
• 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-FPRJBGLDSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-galactopyranose;
  beta-D-galactose;
  D-galactose;
  galactose
• ChEMBL: CHEMBL300520
• ZINC: ZINC000002597049
• PDB chain: 3wg3 Chain D Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3wg3 Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity.
• Resolution: 1.35 Å
• Binding residue (original residue number in PDB): H62 R66 W83 E86
• Binding residue (residue number reindexed from 1): H57 R61 W78 E81
• 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:3wg3, PDBe:3wg3, PDBj:3wg3
• PDBsum: 3wg3
• PubMed: 24036446
• UniProt: Q6WY08|ATLE_CYCAE Anti-tumor lectin (Fragment)