PDB
7XOW
Resolution
3.1 Å
Released
July 20, 2022
Receptor
CCK2
Class
A
Species
Homo sapiens
Ligand
desulfated gastrin-17 (Human)
Function
Agonist
Reference
10.1038/S41421-022-00420-3

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Ligand Amino Acid Generic Number Segment Interaction Type
desulfated gastrin-17 (Human) P114 2.64x63 TM2 hydrophobic
desulfated gastrin-17 (Human) M134 3.32x32 TM3 polar (hydrogen bond)
desulfated gastrin-17 (Human) V138 3.36x36 TM3 Van der Waals
desulfated gastrin-17 (Human) V138 3.36x36 TM3 hydrophobic
desulfated gastrin-17 (Human) Y189 4.60x61 TM4 polar (hydrogen bond)
desulfated gastrin-17 (Human) Q204 ECL2 polar (hydrogen bond)
desulfated gastrin-17 (Human) Q204 ECL2 polar (hydrogen bond)
desulfated gastrin-17 (Human) C205 45.50x50 ECL2 polar (hydrogen bond with backbone)
desulfated gastrin-17 (Human) C205 45.50x50 ECL2 Van der Waals
desulfated gastrin-17 (Human) H207 45.52x52 ECL2 polar (hydrogen bond)
desulfated gastrin-17 (Human) H207 45.52x52 ECL2 Van der Waals
desulfated gastrin-17 (Human) N353 6.55x55 TM6 polar (hydrogen bond)
desulfated gastrin-17 (Human) N353 6.55x55 TM6 Van der Waals
desulfated gastrin-17 (Human) R356 6.58x58 TM6 polar (charge-assisted hydrogen bond)
desulfated gastrin-17 (Human) A363 ECL3 Van der Waals
desulfated gastrin-17 (Human) A363 ECL3 hydrophobic
desulfated gastrin-17 (Human) H364 ECL3 Van der Waals
desulfated gastrin-17 (Human) S368 ECL3 Van der Waals
desulfated gastrin-17 (Human) I372 7.35x34 TM7 Van der Waals
desulfated gastrin-17 (Human) I372 7.35x34 TM7 hydrophobic
desulfated gastrin-17 (Human) H376 7.39x38 TM7 polar (hydrogen bond)
desulfated gastrin-17 (Human) H376 7.39x38 TM7 polar (hydrogen bond)
desulfated gastrin-17 (Human) Y380 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
CCK2 receptor
TM2
2x63 2.64x63 P114
TM3
3x32 3.32x32 M134
3x36 3.36x36 V138
TM4
4x61 4.60x61 Y189
ECL2
45x50 45.50x50 C205
45x52 45.52x52 H207
TM6
6x55 6.55x55 N353
6x58 6.58x58 R356
TM7
7x34 7.35x34 I372
7x38 7.39x38 H376
7x42 7.43x42 Y380