Structure of PDB 1qft Chain B Binding Site BS01

Receptor Information
>1qft Chain B (length=169) Species: 34631 (Rhipicephalus appendiculatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPDWADEAANGAHQDAWKSLKADVENVYYMVKATYKNDPVWGNDFTCVGV
MANDVNEDEKSIQAEFLFMNNADTNMQFATEKVTAVKMYGYNRENAFRYE
TEDGQVFTDVIAYSDDNCDVIYVPGTDGNEEGYELWTTDYDNIPANCLNK
FNEYAVGRETRDVFTSACL
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 176 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1qft Tick histamine-binding proteins: isolation, cloning, and three-dimensional structure.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		C169 L170
Binding residue
(residue number reindexed from 1)		C168 L169
Annotation score4
Binding affinityMOAD: 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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1qft, PDBe:1qft, PDBj:1qft
PDBsum1qft
PubMed10360182
UniProtO77421|HBP2_RHIAP Female-specific histamine-binding protein 2

[Back to BioLiP]