Structure of PDB 2x45 Chain A Binding Site BS01

Receptor Information
>2x45 Chain A (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 A Residue 1160 [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)		S28 Y37 V53 Y67 D110 W121
Binding residue
(residue number reindexed from 1)		S13 Y22 V38 Y52 D95 W106
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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