PDB
7W3Z
Resolution
3.0 Å
Released
Feb. 22, 2023
Receptor
BB2
Class
A
Species
Homo sapiens
Ligand
Gastrin Releasing Peptide (GRP)
Function
Agonist
Reference
10.1073/PNAS.2216230120

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Ligand Amino Acid Generic Number Segment Interaction Type
Gastrin Releasing Peptide (GRP) L89 2.53x53 TM2 hydrophobic
Gastrin Releasing Peptide (GRP) C93 2.57x56 TM2 Van der Waals
Gastrin Releasing Peptide (GRP) C93 2.57x56 TM2 polar (hydrogen bond)
Gastrin Releasing Peptide (GRP) R100 2.64x63 TM2 Van der Waals
Gastrin Releasing Peptide (GRP) Y101 2.65x64 TM2 Van der Waals
Gastrin Releasing Peptide (GRP) Y101 2.65x64 TM2 aromatic (face-to-face)
Gastrin Releasing Peptide (GRP) D104 ECL1 polar (charge-assisted hydrogen bond)
Gastrin Releasing Peptide (GRP) D104 ECL1 polar (hydrogen bond with backbone)
Gastrin Releasing Peptide (GRP) R105 23.49x49 ECL1 Van der Waals
Gastrin Releasing Peptide (GRP) W106 23.50x50 ECL1 Van der Waals
Gastrin Releasing Peptide (GRP) W106 23.50x50 ECL1 polar (hydrogen bond with backbone)
Gastrin Releasing Peptide (GRP) P117 3.29x29 TM3 hydrophobic
Gastrin Releasing Peptide (GRP) P117 3.29x29 TM3 Van der Waals
Gastrin Releasing Peptide (GRP) Q120 3.32x32 TM3 Van der Waals
Gastrin Releasing Peptide (GRP) Q120 3.32x32 TM3 polar (hydrogen bond)
Gastrin Releasing Peptide (GRP) L121 3.33x33 TM3 Van der Waals
Gastrin Releasing Peptide (GRP) V124 3.36x36 TM3 Van der Waals
Gastrin Releasing Peptide (GRP) E175 4.60x61 TM4 polar (charge-assisted hydrogen bond)
Gastrin Releasing Peptide (GRP) S179 4.64x65 TM4 Van der Waals
Gastrin Releasing Peptide (GRP) F184 ECL2 hydrophobic
Gastrin Releasing Peptide (GRP) F184 ECL2 Van der Waals
Gastrin Releasing Peptide (GRP) E186 ECL2 polar (charge-assisted hydrogen bond)
Gastrin Releasing Peptide (GRP) Q191 ECL2 Van der Waals
Gastrin Releasing Peptide (GRP) F193 ECL2 hydrophobic
Gastrin Releasing Peptide (GRP) F193 ECL2 Van der Waals
Gastrin Releasing Peptide (GRP) I194 ECL2 Van der Waals
Gastrin Releasing Peptide (GRP) S195 ECL2 Van der Waals
Gastrin Releasing Peptide (GRP) C196 45.50x50 ECL2 polar (hydrogen bond)
Gastrin Releasing Peptide (GRP) A197 45.51x51 ECL2 Van der Waals
Gastrin Releasing Peptide (GRP) P198 45.52x52 ECL2 hydrophobic
Gastrin Releasing Peptide (GRP) P198 45.52x52 ECL2 Van der Waals
Gastrin Releasing Peptide (GRP) W277 6.48x48 TM6 Van der Waals
Gastrin Releasing Peptide (GRP) W277 6.48x48 TM6 hydrophobic
Gastrin Releasing Peptide (GRP) N280 6.51x51 TM6 Van der Waals
Gastrin Releasing Peptide (GRP) N280 6.51x51 TM6 polar (hydrogen bond)
Gastrin Releasing Peptide (GRP) Y284 6.55x55 TM6 Van der Waals
Gastrin Releasing Peptide (GRP) Y284 6.55x55 TM6 hydrophobic
Gastrin Releasing Peptide (GRP) R287 6.58x58 TM6 polar (charge-assisted hydrogen bond)
Gastrin Releasing Peptide (GRP) V294 ECL3 hydrophobic
Gastrin Releasing Peptide (GRP) V294 ECL3 Van der Waals
Gastrin Releasing Peptide (GRP) T296 ECL3 Van der Waals
Gastrin Releasing Peptide (GRP) H300 7.31x30 TM7 Van der Waals
Gastrin Releasing Peptide (GRP) F301 7.32x31 TM7 hydrophobic
Gastrin Releasing Peptide (GRP) F301 7.32x31 TM7 Van der Waals
Gastrin Releasing Peptide (GRP) R308 7.39x38 TM7 polar (charge-assisted hydrogen bond)
Gastrin Releasing Peptide (GRP) A311 7.42x41 TM7 hydrophobic
Gastrin Releasing Peptide (GRP) A311 7.42x41 TM7 Van der Waals
Gastrin Releasing Peptide (GRP) F312 7.43x42 TM7 Van der Waals
Gastrin Releasing Peptide (GRP) F312 7.43x42 TM7 hydrophobic

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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
2x53 2.53x53 L89
2x56 2.57x56 C93
2x63 2.64x63 R100
2x64 2.65x64 Y101
ECL1
23x49 23.49x49 R105
23x50 23.50x50 W106
TM3
3x29 3.29x29 P117
3x32 3.32x32 Q120
3x33 3.33x33 L121
3x36 3.36x36 V124
TM4
4x61 4.60x61 E175
4x65 4.64x65 S179
ECL2
45x50 45.50x50 C196
45x51 45.51x51 A197
45x52 45.52x52 P198
TM6
6x48 6.48x48 W277
6x51 6.51x51 N280
6x55 6.55x55 Y284
6x58 6.58x58 R287
TM7
7x30 7.31x30 H300
7x31 7.32x31 F301
7x38 7.39x38 R308
7x41 7.42x41 A311
7x42 7.43x42 F312