Structure of PDB 1qft Chain A Binding Site BS02

Receptor Information
>1qft Chain A (length=175) Species: 34631 (Rhipicephalus appendiculatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NQPDWADEAANGAHQDAWKSLKADVENVYYMVKATYKNDPVWGNDFTCVG
VMANDVNEDEKSIQAEFLFMNNADTNMQFATEKVTAVKMYGYNRENAFRY
ETEDGQVFTDVIAYSDDNCDVIYVPGTDGNEEGYELWTTDYDNIPANCLN
KFNEYAVGRETRDVFTSACLEIAAA
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 chain1qft Chain A Residue 177 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qft Tick histamine-binding proteins: isolation, cloning, and three-dimensional structure.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		D39 W42 E82 Y100 F108 D110 E135
Binding residue
(residue number reindexed from 1)		D39 W42 E82 Y100 F108 D110 E135
Annotation score4
Binding affinityMOAD: Kd=1.7nM
PDBbind-CN: -logKd/Ki=8.77,Kd=1.7nM
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:1qft, PDBe:1qft, PDBj:1qft
PDBsum1qft
PubMed10360182
UniProtO77421|HBP2_RHIAP Female-specific histamine-binding protein 2

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