Structure of PDB 3ub9 Chain A Binding Site BS01

Receptor Information
>3ub9 Chain A (length=162) Species: 102617 (Helicobacter pylori SS1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQLMEHLETGQYKKREKTLAYMTKILEQGIHEYYKSFDNDTARKMALDYF
KRINDDKGMIYMVVVDKNGVVLFDPVNPKTVGQSGLDAQSVDGVYYVRGY
LEAAKKGGGYTYYKMPKYDGGVPEKKFAYSHYDEVSQMVIAATSYYTDIN
TENKAIKEGVNK
Ligand information
Ligand IDNHY
InChIInChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
InChIKeyVSNHCAURESNICA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)NO
OpenEye OEToolkits 1.5.0C(=O)(N)NO
ACDLabs 10.04O=C(N)NO
FormulaC H4 N2 O2
NameN-HYDROXYUREA;
1-HYDROXYUREA
ChEMBLCHEMBL467
DrugBankDB01005
ZINCZINC000008034120
PDB chain3ub9 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ub9 Structure and proposed mechanism for the pH-sensing Helicobacter pylori chemoreceptor TlpB.
Resolution1.42 Å
Binding residue
(original residue number in PDB)		V103 D114 V116 Y136 Y153 M155 K166
Binding residue
(residue number reindexed from 1)		V63 D74 V76 Y96 Y113 M115 K126
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links