PDB
Resolution
3.0 Å
Released
Feb. 22, 2023
Receptor
Class
A
Species
Homo sapiens
Ligand
Function
PD 176252
Antagonist

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Ligand Amino Acid Generic Number Segment Interaction Type
PD 176252 C93 2.57x56 TM2 Van der Waals
PD 176252 W106 23.50x50 ECL1 hydrophobic
PD 176252 I116 3.28x28 TM3 hydrophobic
PD 176252 P117 3.29x29 TM3 Van der Waals
PD 176252 Q120 3.32x32 TM3 Van der Waals
PD 176252 L121 3.33x33 TM3 hydrophobic
PD 176252 E175 4.60x61 TM4 polar (hydrogen bond)
PD 176252 F178 4.63x64 TM4 hydrophobic
PD 176252 S179 4.64x65 TM4 polar (hydrogen bond)
PD 176252 C196 45.50x50 ECL2 hydrophobic
PD 176252 P198 45.52x52 ECL2 hydrophobic
PD 176252 Y199 ECL2 hydrophobic
PD 176252 Y199 ECL2 aromatic (edge-to-face)
PD 176252 P200 ECL2 Van der Waals
PD 176252 H206 5.34x35 TM5 Van der Waals
PD 176252 P207 5.35x36 TM5 Van der Waals
PD 176252 H210 5.38x39 TM5 Van der Waals
PD 176252 S214 5.42x43 TM5 Van der Waals
PD 176252 W461 6.48x48 TM6 aromatic (edge-to-face)
PD 176252 W461 6.48x48 TM6 hydrophobic
PD 176252 N464 6.51x51 TM6 hydrophobic
PD 176252 H465 6.52x52 TM6 Van der Waals
PD 176252 Y468 6.55x55 TM6 hydrophobic
PD 176252 Y468 6.55x55 TM6 aromatic (edge-to-face)
PD 176252 R492 7.39x38 TM7 Van der Waals
PD 176252 A495 7.42x41 TM7 Van der Waals

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Snake plot — Download: PNG | SVG
ICL1 K S M R ICL1ECL1 D R W L F ECL1ICL2 P M D I Q A S H ICL2ECL2 D L H P F H E E S T N Q T F I S C A P Y P H S ECL2ICL3 P V E G ICL3ECL3 Y S E V D T ECL3N-term M A L N D C F L L N L E V D H F M H C N I S S H S A D L P V N D D W S H N-termC-term C Q P G L I I R S H S T G R S T T C M T S L K S T N P S V A T F S L I N G N I C H E R Y V C-term P G I L Y V I P A V Y G V I I L I G L I G N I T L I K I F C T V N V P N L F I S S L A L G D L L L L I T C A P V D A S R Y L A G R I G C K L I P F I Q L T S V G V S V F T L T A L S A D R Y K A I V R A L M K I C L K A A F I W I I S M L L A I P E A V F S N E L H P K I H S M A S F L V F Y V I P L S I I S V Y Y Y F I A K N L I Q S A Y N L N I H V K K Q I E S R K R L A K T V L V F V G L F A F C W L P N H V I Y L Y R S Y H S M L H F V T S I C A R L L A F T N S C V N P F A L Y L L S K S F N T F R K Q Q L L C
Helix box plot — Download: PNG | SVG I N G I L G I L I I V G Y V A P I V Y L 1 S S L A L G D L L L L T I C A P V D A S R 2 A T L T F V S V G V S T L Q I F P I L K 3 I C L K A A F I W I I S M L L A I P E 4 Y Y V S I I S L P I V Y F V L F S A M S H 5 L V F V G L F A F C W L P N H V I Y L Y 6 F P N V C S N T F A L L R A C I S T V 7

GPCRdb(A)
GPCRdb(A)
BB2 receptor
TM2
2x56 2.57x56 C93
ECL1
23x50 23.50x50 W106
TM3
3x28 3.28x28 I116
3x29 3.29x29 P117
3x32 3.32x32 Q120
3x33 3.33x33 L121
TM4
4x61 4.60x61 E175
4x64 4.63x64 F178
4x65 4.64x65 S179
ECL2
45x50 45.50x50 C196
45x52 45.52x52 P198
TM5
5x35 5.34x35 H206
5x36 5.35x36 P207
5x39 5.38x39 H210
5x43 5.42x43 S214
TM6
6x48 6.48x48 W277
6x51 6.51x51 N280
6x52 6.52x52 H281
6x55 6.55x55 Y284
TM7
7x38 7.39x38 R308
7x41 7.42x41 A311