Structure of PDB 2z49 Chain B Binding Site BS03

Receptor Information
>2z49 Chain B (length=431) Species: 40245 (Cucumaria echinata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLCTNPLDIGELRSFKSKQCVDIVGNQGSGNIATYDCDGLSDQQIIICGD
GTIRNEARNYCFTPDGSGNANVMSSPCTLYPEIPSSQRWRQGRRKTFTDN
GGIEQVATEIINLASGKCLDIEGSDGTGDIGVYDCQNLDDQYFYVRSRGP
ELFYGRLRNEKSDLCLDVEGSDGKGNVLMYSCEDNLDQWFRYYENGEIVN
AKSGMCLDVEGSDGSGNVGIYRCDDLRDQMWSRPNAYCNGDYCSFLNKES
NKCLDVSGDQGTGDVGTWQCDGLPDQRFKWVFDDWEVPTATWNMVGCDQN
GKVSQQISNTISFSSTVTAGVAVEVSSTIEKGVIFAKATVSVKVTASLSK
AWTNSQSGTTAITYTCDNYDSDEEFTRGCMWQLAIETTEVKSGDLLVWNP
QIVKCTRSNTAPGCAPFTKCANEDCTFCTDI
Ligand information
Ligand IDAMG
InChIInChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1
InChIKeyHOVAGTYPODGVJG-PZRMXXKTSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(O)C(OC1OC)CO
OpenEye OEToolkits 1.5.0CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0COC1C(C(C(C(O1)CO)O)O)O
CACTVS 3.341CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
FormulaC7 H14 O6
Namemethyl alpha-D-galactopyranoside;
ALPHA-METHYL-D-GALACTOSIDE;
methyl alpha-D-galactoside;
methyl D-galactoside;
methyl galactoside
ChEMBLCHEMBL467773
DrugBankDB02100
ZINCZINC000004262102
PDB chain2z49 Chain B Residue 1407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2z49 C-type lectin-like carbohydrate-recognition of the hemolytic lectin CEL-III containing ricin-type beta-trefoil folds
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D209 V210 G212 Y222
Binding residue
(residue number reindexed from 1)		D208 V209 G211 Y221
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004653 polypeptide N-acetylgalactosaminyltransferase activity
GO:0005509 calcium ion binding
GO:0005534 galactose binding
GO:0030246 carbohydrate binding
GO:0030395 lactose binding
GO:0042806 fucose binding
GO:0046871 N-acetylgalactosamine binding
GO:0046872 metal ion binding
GO:1903777 melibiose binding
Biological Process
GO:0001906 cell killing
GO:0006493 protein O-linked glycosylation
GO:0019731 antibacterial humoral response
GO:0031640 killing of cells of another organism
GO:0034120 positive regulation of erythrocyte aggregation
GO:0042742 defense response to bacterium
GO:0044179 hemolysis in another organism
GO:0050829 defense response to Gram-negative bacterium
GO:0050830 defense response to Gram-positive bacterium
GO:0051260 protein homooligomerization
GO:0051673 disruption of plasma membrane integrity in another organism
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005794 Golgi apparatus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2z49, PDBe:2z49, PDBj:2z49
PDBsum2z49
PubMed17977832
UniProtQ868M7|CEL3_CUCEC Galactose/N-acetylgalactosamine-binding lectin CEL-III (Gene Name=cel3)

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