Structure of PDB 4zud Chain A Binding Site BS01

Receptor Information
>4zud Chain A (length=376) Species: 562,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDK
SPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAY
IQKYLILNSSDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFY
MKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASA
SVSFNLYASVFLLTCLSIDRYLAIVHPTMLVAKVTCIIIWLLAGLASLPA
IIHRNVFFIENTNITVCAFHYESTLPIGLGLTKNILGFLFPFLIILTSYT
LIWKALNDDIFKIIMAIVLFFFFSWIPHQIFTFLDVLIQLGIIRDCRIAD
IVDTAMPITICIAYFNNCLNPLFYGF
Ligand information
Ligand IDOLM
InChIInChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)
InChIKeyVTRAEEWXHOVJFV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(O)=O)C(C)(C)O
OpenEye OEToolkits 1.9.2CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)O)C(C)(C)O
ACDLabs 12.01c1c(ccc(c1)Cn2c(CCC)nc(C(O)(C)C)c2C(O)=O)c3ccccc3c4nnnn4
FormulaC24 H26 N6 O3
NameOlmesartan
ChEMBLCHEMBL1516
DrugBankDB00275
ZINCZINC000000538621
PDB chain4zud Chain A Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4zud Structural Basis for Ligand Recognition and Functional Selectivity at Angiotensin Receptor.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y35 F77 W84 V108 S109 R167 F182 I288
Binding residue
(residue number reindexed from 1)		Y129 F171 W178 V202 S203 R254 F269 I360
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=8.16,Kd=6.9nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004945 angiotensin type II receptor activity
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0019229 regulation of vasoconstriction
GO:0022900 electron transport chain
Cellular Component
GO:0016020 membrane
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4zud, PDBe:4zud, PDBj:4zud
PDBsum4zud
PubMed26420482
UniProtP0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC);
P30556

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