Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T23714 Target Info
Target Name B2 bradykinin receptor (BDKRB2)
Synonyms Bradykinin B2 receptor; BKR2; BK-2 receptor; BK B(2) receptor; B2R
Target Type Successful Target
Gene Name BDKRB2
Biochemical Class GPCR rhodopsin
UniProt ID
BKRB2_HUMAN
Ligand General Information  Top
Ligand Name Cholesterol Ligand Info
Canonical SMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChI 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
InChIKey HVYWMOMLDIMFJA-DPAQBDIFSA-N
PubChem Compound ID 5997
Drug Binding Sites of Target  Top
PDB ID: 7F6I      Cryo-EM structure of human bradykinin receptor BK2R in complex Gq proteins and kallidin
Method Electron microscopy Resolution 2.80 Å Mutation No [1]
PDB Sequence
CPQVEWLGWL
56
NTIQPPFLWV
66
LFVLATLENI
76
FVLSVFCLHK
86
SSCTVAEIYL
96

GNLAAADLIL
106
ACGLPFWAIT
116
ISNNFDWLFG
126
ETLCRVVNAI
136
ISMNLYSSIC
146

FLMLVSIDRY
156
LALVKTMSMG
166
RMRGVRWAKL
176
YSLVIWGCTL
186
LLSSPMLVFR
196

TMKEYSDEGH
206
NVTACVISYP
216
SLIWEVFTNM
226
LLNVVGFLLP
236
LSVITFCTMQ
246

IMQVLRNNEM
256
QKFKEIQTER
266
RATVLVLVVL
276
LLFIICWLPF
286
QISTFLDTLH
296

RLGILSSCQD
306
ERIIDVITQI
316
ASFMAYSNSC
326
LNPLVYVIVG
336
KRFRKKSWEV
346

YQGVC
Residue
Distance (Å)
LEU79
3.803
PHE82
3.421
CYS83
3.679
CYS89
3.144
GLU93
3.849
ILE94
3.871
GLY97
3.451
ASN98
3.314
ALA101
3.675
ILE105
4.301
MET139
4.947
CYS146
4.067
LEU150
3.702
ILE153
4.428
LEU157
3.597
MET165
4.957
Residue
Distance (Å)
TYR177
3.605
VAL180
3.874
ILE181
3.683
TRP182
3.638
CYS184
3.962
LEU188
4.568
ARG266
4.421
ARG267
3.617
VAL270
3.669
LEU271
3.930
VAL274
4.085
LEU278
3.975
LEU327
3.933
LEU330
4.137
VAL331
4.058
VAL335
3.760
PDB ID: 7F6H      Cryo-EM structure of human bradykinin receptor BK2R in complex Gq proteins and bradykinin
Method Electron microscopy Resolution 2.90 Å Mutation Yes [1]
PDB Sequence
CPQVEWLGWL
56
NTIQPPFLWV
66
LFVLATLENI
76
FVLSVFCLHK
86
SSCTVAEIYL
96

GNLAAADLIL
106
ACGLPFWAIT
116
ISNNFDWLFG
126
ETLCRVVNAI
136
ISMNLYSSIC
146

FLMLVSIDRY
156
LALVKTMSMG
166
RMRGVRWAKL
176
YSLVIWGCTL
186
LLSSPMLVFR
196

TMKEYSDEGH
206
NVTACVISYP
216
SLIWEVFTNM
226
LLNVVGFLLP
236
LSVITFCTMQ
246

IMQVLRNNEM
256
QKFKEIQTER
266
RATVLVLVVL
276
LLFIICWLPF
286
QISTFLDTLH
296

RLGILSSCQD
306
ERIIDVITQI
316
ASFMAYSNSC
326
LNPLVYVIVG
336
KRFRKKSWEV
346

YQGVC
Residue
Distance (Å)
CYS146
3.648
MET149
3.859
LEU150
3.694
ILE153
3.882
LEU157
3.980
TYR177
3.616
VAL180
4.205
ILE181
3.745
CYS184
3.664
THR185
4.317
LEU188
4.270
Residue
Distance (Å)
VAL231
4.484
ARG266
4.294
ARG267
3.682
VAL270
3.898
LEU271
3.871
VAL274
3.945
LEU278
4.665
LEU327
3.883
LEU330
4.099
VAL331
4.073
VAL335
4.064
References  Top
REF 1 Cryo-EM structures of human bradykinin receptor-G(q) proteins complexes. Nat Commun. 2022 Feb 7;13(1):714.

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