Structure of PDB 4arx Chain D Binding Site BS01

Receptor Information
>4arx Chain D (length=576) Species: 29339 (Bacillus thuringiensis serovar kurstaki) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YTPIDISLSLTQFLLSEFVPGAGFVLGLVDIIWGIFGPSQWDAFLVQIEQ
LINQRIEEFARNQAISRLEGLSNLYQIYAESFREWEADPTNPALREEMRI
QFNDMNSALTTAIPLFAVQNYQVPLLSVYVQAANLHLSVLRDVSVFGQRW
GFDAATINSRYNDLTRLIGNYTDYAVRWYNTGLERVWGPDSRDWVRYNQF
RRELTLTVLDIVALFPNYDSRRYPIRTVSQLTREIYTNPVLENFDGSFRG
SAQGIERSIRSPHLMDILNSITIYTDAHRGYYYWSGHQIMASPVGFSGPE
FTFPLYGTMGNAAPQQRIVAQLGQGVYRTLSSTLYRRPFNIGINNQQLSV
LDGTEFAYGTSSNLPSAVYRKSGTVDSLDEIPPQNNNVPPRQGFSHRLSH
VSMFRSGFSNSSVSIIRAPMFSWIHRSAEFNNIIASDSITQIPAVKGNFL
FNGSVISGPGFTGGDLVRLNSSGNNIQNRGYIEVPIHFPSTSTRYRVRVR
YASVTPIHLNVNWGNSSIFSNTVPATATSLDNLQSSDFGYFESANAFTSS
LGNIVGVRNFSGTAGVIIDRFEFIPV
Ligand information
Ligand ID13D
InChIInChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
InChIKeyXFNJVJPLKCPIBV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CN)CN
ACDLabs 10.04
CACTVS 3.341		NCCCN
FormulaC3 H10 N2
Name1,3-DIAMINOPROPANE
ChEMBLCHEMBL174324
DrugBank
ZINCZINC000005828682
PDB chain4arx Chain A Residue 1610 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4arx Crystallization of the Bacillus Thuringiensis Toxin Cry1Ac and its Complex with the Receptor Ligand N-Aceryl-D-Galactosamine
Resolution2.35 Å
Binding residue
(original residue number in PDB)		N418 P421
Binding residue
(residue number reindexed from 1)		N386 P389
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005102 signaling receptor binding
GO:0090729 toxin activity
Biological Process
GO:0001907 symbiont-mediated killing of host cell

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Molecular Function
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Biological Process
External links
PDB RCSB:4arx, PDBe:4arx, PDBj:4arx
PDBsum4arx
PubMed
UniProtP05068|CR1AC_BACTK Pesticidal crystal protein Cry1Ac (Gene Name=cry1Ac)

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