Structure of PDB 7f6i Chain A Binding Site BS02

Receptor Information
>7f6i Chain A (length=305) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPQVEWLGWLNTIQPPFLWVLFVLATLENIFVLSVFCLHKSSCTVAEIYL
GNLAAADLILACGLPFWAITISNNFDWLFGETLCRVVNAIISMNLYSSIC
FLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCTLLLSSPMLVFR
TMKEYSDEGHNVTACVISYPSLIWEVFTNMLLNVVGFLLPLSVITFCTMQ
IMQVLRNNEMQKFKEIQTERRATVLVLVVLLLFIICWLPFQISTFLDTLH
RLGILSSCQDERIIDVITQIASFMAYSNSCLNPLVYVIVGKRFRKKSWEV
YQGVC
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain7f6i Chain A Residue 501 [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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PDB7f6i Cryo-EM structures of human bradykinin receptor-G q proteins complexes.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y177 I181
Binding residue
(residue number reindexed from 1)		Y131 I135
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0002020 protease binding
GO:0004435 phosphatidylinositol phospholipase C activity
GO:0004930 G protein-coupled receptor activity
GO:0004947 bradykinin receptor activity
GO:0005515 protein binding
GO:0015144 carbohydrate transmembrane transporter activity
GO:0031702 type 1 angiotensin receptor binding
GO:0046982 protein heterodimerization activity
Biological Process
GO:0006939 smooth muscle contraction
GO:0006954 inflammatory response
GO:0007166 cell surface receptor signaling pathway
GO:0007169 cell surface receptor protein tyrosine kinase signaling pathway
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0008015 blood circulation
GO:0008643 carbohydrate transport
GO:0009651 response to salt stress
GO:0019229 regulation of vasoconstriction
GO:0042311 vasodilation
GO:0043114 regulation of vascular permeability
GO:0050482 arachidonate secretion
GO:0055085 transmembrane transport
GO:1902219 negative regulation of intrinsic apoptotic signaling pathway in response to osmotic stress
GO:1902239 negative regulation of intrinsic apoptotic signaling pathway in response to osmotic stress by p53 class mediator
GO:1990127 intrinsic apoptotic signaling pathway in response to osmotic stress by p53 class mediator
Cellular Component
GO:0005768 endosome
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7f6i, PDBe:7f6i, PDBj:7f6i
PDBsum7f6i
PubMed35132089
UniProtP30411|BKRB2_HUMAN B2 bradykinin receptor (Gene Name=BDKRB2)

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