Structure of PDB 1bht Chain A Binding Site BS03
Receptor Information
>1bht Chain A (length=176) Species:
9606
(Homo sapiens) [
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RRNTIHEFKKSAKTTLIKIDPALKIKTKKVNTADQCANRCTRNKGLPFTC
KAFVFDKARKQCLWFPFNSMSSGVKKEFGHEFDLYENKDYIRNCIIGKGR
SYKGTVSITKSGIKCQPWSSMIPHEHSFLPSSYRGKDLQENYCRNPRGEE
GGPWCFTSNPEVRYEVCDIPQCSEVE
Ligand information
Ligand ID
EPE
InChI
InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKey
JKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=S(=O)(O)CCN1CCN(CCO)CC1
OpenEye OEToolkits 1.5.0
C1CN(CCN1CCO)CCS(=O)(=O)O
CACTVS 3.341
OCCN1CCN(CC1)CC[S](O)(=O)=O
Formula
C8 H18 N2 O4 S
Name
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID;
HEPES
ChEMBL
CHEMBL1232545
DrugBank
DB16872
ZINC
ZINC000019203136
PDB chain
1bht Chain A Residue 1 [
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Receptor-Ligand Complex Structure
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PDB
1bht
Crystal structure of the NK1 fragment of human hepatocyte growth factor at 2.0 A resolution.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
E183 W188 F190 R197 Y198 V200
Binding residue
(residue number reindexed from 1)
E149 W154 F156 R163 Y164 V166
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:1bht
,
PDBe:1bht
,
PDBj:1bht
PDBsum
1bht
PubMed
9817840
UniProt
P14210
|HGF_HUMAN Hepatocyte growth factor (Gene Name=HGF)
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