PDB
7W40
Resolution
3.0 Å
Released
Feb. 22, 2023
Receptor
BB2
Class
A
Species
Homo sapiens
Ligand
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14)
Function
Agonist
Reference
—

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Ligand Amino Acid Generic Number Segment Interaction Type
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) R100 2.64x63 TM2 polar (charge-assisted hydrogen bond)
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) Y101 2.65x64 TM2 aromatic (face-to-face)
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) Y101 2.65x64 TM2 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) D104 ECL1 polar (hydrogen bond with backbone)
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) D104 ECL1 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) W106 23.50x50 ECL1 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) W106 23.50x50 ECL1 hydrophobic
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) P117 3.29x29 TM3 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) P117 3.29x29 TM3 hydrophobic
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) Q120 3.32x32 TM3 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) L121 3.33x33 TM3 hydrophobic
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) L121 3.33x33 TM3 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) V124 3.36x36 TM3 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) V124 3.36x36 TM3 hydrophobic
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) S179 ECL2 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) F184 ECL2 hydrophobic
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) F184 ECL2 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) E186 ECL2 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) F193 ECL2 hydrophobic
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) F193 ECL2 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) S195 ECL2 polar (hydrogen bond)
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) S195 ECL2 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) S195 ECL2 polar (hydrogen bond)
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) C196 45.50x50 ECL2 polar (hydrogen bond)
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) A197 45.51x51 ECL2 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) A197 45.51x51 ECL2 hydrophobic
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) P198 45.52x52 ECL2 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) P198 45.52x52 ECL2 polar (hydrogen bond with backbone)
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) F218 5.46x461 TM5 hydrophobic
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) N280 6.51x51 TM6 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) H281 6.52x52 TM6 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) H281 6.52x52 TM6 aromatic (face-to-edge)
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) Y284 6.55x55 TM6 hydrophobic
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) Y284 6.55x55 TM6 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) R287 6.58x58 TM6 polar (charge-assisted hydrogen bond)
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) V294 ECL3 hydrophobic
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) V294 ECL3 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) H300 7.31x30 TM7 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) F301 7.32x31 TM7 aromatic (edge-to-face)
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) F301 7.32x31 TM7 Van der Waals
Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] Bn (6-14) R308 7.39x38 TM7 Van der Waals

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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
2x63 2.64x63 R100
2x64 2.65x64 Y101
ECL1
23x50 23.50x50 W106
TM3
3x29 3.29x29 P117
3x32 3.32x32 Q120
3x33 3.33x33 L121
3x36 3.36x36 V124
ECL2
45x50 45.50x50 C196
45x51 45.51x51 A197
45x52 45.52x52 P198
TM5
5x461 5.46x461 F218
TM6
6x51 6.51x51 N280
6x52 6.52x52 H281
6x55 6.55x55 Y284
6x58 6.58x58 R287
TM7
7x30 7.31x30 H300
7x31 7.32x31 F301
7x38 7.39x38 R308