Structure of PDB 3w9t Chain C Binding Site BS08

Receptor Information
>3w9t Chain C (length=432) Species: 40245 (Cucumaria echinata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVLCTNPLDIGELRSFKSKQCVDIVGNQGSGNIATYDCDGLSDQQIIICG
DGTIRNEARNYCFTPDGSGNANVMSSPCTLYPEIPSSQRWRQGRRKTFTD
NGGIEQVATEIINLASGKCLDIEGSDGTGDIGVYDCQNLDDQYFYVRSRG
PELFYGRLRNEKSDLCLDVEGSDGKGNVLMYSCEDNLDQWFRYYENGEIV
NAKSGMCLDVEGSDGSGNVGIYRCDDLRDQMWSRPNAYCNGDYCSFLNKE
SNKCLDVSGDQGTGDVGTWQCDGLPDQRFKWVFDDWEVPTATWNMVGCDQ
NGKVSQQISNTISFSSTVTAGVAVEVSSTIEKGVIFAKATVSVKVTASLS
KAWTNSQSGTTAITYTCDNYDSDEEFTRGCMWQLAIETTEVKSGDLLVWN
PQIVKCTRSNTAPGCAPFTKCANEDCTFCTDI
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3w9t Chain C Residue 1008 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3w9t Hemolytic lectin CEL-III heptamer reveals its transmembrane pore-formation mechanism
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D23 I24 G26 D43
Binding residue
(residue number reindexed from 1)		D23 I24 G26 D43
Annotation score4
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:3w9t, PDBe:3w9t, PDBj:3w9t
PDBsum3w9t
PubMed
UniProtQ868M7|CEL3_CUCEC Galactose/N-acetylgalactosamine-binding lectin CEL-III (Gene Name=cel3)

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