Structure of PDB 1qft Chain B Binding Site BS02

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 B 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)		S20 D24 Y29 V51 F98 Y100 D120 W137
Binding residue
(residue number reindexed from 1)		S19 D23 Y28 V50 F97 Y99 D119 W136
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]