Structure of PDB 2x45 Chain C Binding Site BS02

Receptor Information
>2x45 Chain C (length=144) Species: 34604 (Argas reflexus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDDCSGKTDAWTSIKGPKTGGYWLKQTTKTGENECTYVKGTDFKENTKTA
TYTYGYKDASGKLTKTTGTATAKGSDIVVGSDTSTVIYTDGKTCDVVKHG
GHTELWVHSSKTSGGYNNCCDKKFTETRGSTPANEVYKKCPGMP
Ligand information
Ligand IDHSM
InChIInChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
InChIKeyNTYJJOPFIAHURM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(nc[nH]1)CCN
CACTVS 3.341NCCc1c[nH]cn1
ACDLabs 10.04n1c(cnc1)CCN
FormulaC5 H9 N3
NameHISTAMINE
ChEMBLCHEMBL90
DrugBankDB05381
ZINCZINC000000388081
PDB chain2x45 Chain C Residue 1161 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2x45 Crystal Structure of the Allergen Arg R 1, a Histamine-Binding Lipocalin from a Soft Tick
Resolution1.4 Å
Binding residue
(original residue number in PDB)		V94 D97 S99
Binding residue
(residue number reindexed from 1)		V79 D82 S84
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0030682 symbiont-mediated perturbation of host defenses
Cellular Component
GO:0005576 extracellular region

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Cellular Component
External links
PDB RCSB:2x45, PDBe:2x45, PDBj:2x45
PDBsum2x45
PubMed
UniProtQ5GQ85|ARGR1_ARGRF Allergen Arg r 1

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