Structure of PDB 1qft Chain A Binding Site BS01
Receptor Information
>1qft Chain A (length=175) Species:
34631
(Rhipicephalus appendiculatus) [
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NQPDWADEAANGAHQDAWKSLKADVENVYYMVKATYKNDPVWGNDFTCVG
VMANDVNEDEKSIQAEFLFMNNADTNMQFATEKVTAVKMYGYNRENAFRY
ETEDGQVFTDVIAYSDDNCDVIYVPGTDGNEEGYELWTTDYDNIPANCLN
KFNEYAVGRETRDVFTSACLEIAAA
Ligand information
Ligand ID
HSM
InChI
InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
InChIKey
NTYJJOPFIAHURM-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1c(nc[nH]1)CCN
CACTVS 3.341
NCCc1c[nH]cn1
ACDLabs 10.04
n1c(cnc1)CCN
Formula
C5 H9 N3
Name
HISTAMINE
ChEMBL
CHEMBL90
DrugBank
DB05381
ZINC
ZINC000000388081
PDB chain
1qft Chain A Residue 176 [
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Receptor-Ligand Complex Structure
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PDB
1qft
Tick histamine-binding proteins: isolation, cloning, and three-dimensional structure.
Resolution
1.25 Å
Binding residue
(original residue number in PDB)
S20 D24 Y29 F98 Y100 D120 W137
Binding residue
(residue number reindexed from 1)
S20 D24 Y29 F98 Y100 D120 W137
Annotation score
4
Binding affinity
MOAD
: Kd=1.7nM
PDBbind-CN
: -logKd/Ki=8.77,Kd=1.7nM
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0043176
amine binding
Biological Process
GO:0030682
symbiont-mediated perturbation of host defenses
Cellular Component
GO:0005576
extracellular region
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1qft
,
PDBe:1qft
,
PDBj:1qft
PDBsum
1qft
PubMed
10360182
UniProt
O77421
|HBP2_RHIAP Female-specific histamine-binding protein 2
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