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

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Ligand Amino Acid Generic Number Segment Interaction Type
desulfated gastrin-17 (Human) C107 2.57x56 TM2 Van der Waals
desulfated gastrin-17 (Human) T111 2.61x60 TM2 Van der Waals
desulfated gastrin-17 (Human) P114 2.64x63 TM2 Van der Waals
desulfated gastrin-17 (Human) N115 2.65x64 TM2 Van der Waals
desulfated gastrin-17 (Human) G118 2.68x67 TM2 Van der Waals
desulfated gastrin-17 (Human) T119 23.49x49 ECL1 Van der Waals
desulfated gastrin-17 (Human) F120 23.50x50 ECL1 Van der Waals
desulfated gastrin-17 (Human) M134 3.32x32 TM3 hydrophobic
desulfated gastrin-17 (Human) G135 3.33x33 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) Y189 4.60x61 TM4 hydrophobic
desulfated gastrin-17 (Human) Q204 ECL2 polar (hydrogen bond)
desulfated gastrin-17 (Human) Q204 ECL2 hydrophobic
desulfated gastrin-17 (Human) C205 45.50x50 ECL2 hydrophobic
desulfated gastrin-17 (Human) H207 45.52x52 ECL2 Van der Waals
desulfated gastrin-17 (Human) L222 5.42x43 TM5 Van der Waals
desulfated gastrin-17 (Human) V349 6.51x51 TM6 Van der Waals
desulfated gastrin-17 (Human) Y350 6.52x52 TM6 Van der Waals
desulfated gastrin-17 (Human) A352 6.54x54 TM6 Van der Waals
desulfated gastrin-17 (Human) N353 6.55x55 TM6 Van der Waals
desulfated gastrin-17 (Human) R356 6.58x58 TM6 hydrophobic
desulfated gastrin-17 (Human) R356 6.58x58 TM6 aromatic (pi-cation)
desulfated gastrin-17 (Human) R356 6.58x58 TM6 polar (charge-charge)
desulfated gastrin-17 (Human) A363 ECL3 hydrophobic
desulfated gastrin-17 (Human) H364 ECL3 aromatic (edge-to-face)
desulfated gastrin-17 (Human) L367 ECL3 Van der Waals
desulfated gastrin-17 (Human) S368 ECL3 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) 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
2x56 2.57x56 C107
2x60 2.61x60 T111
2x63 2.64x63 P114
2x64 2.65x64 N115
2x67 2.68x67 G118
ECL1
23x49 23.49x49 T119
23x50 23.50x50 F120
TM3
3x32 3.32x32 M134
3x33 3.33x33 G135
3x36 3.36x36 V138
TM4
4x61 4.60x61 Y189
ECL2
45x50 45.50x50 C205
45x52 45.52x52 H207
TM5
5x43 5.42x43 L222
TM6
6x51 6.51x51 V349
6x52 6.52x52 Y350
6x54 6.54x54 A352
6x55 6.55x55 N353
6x58 6.58x58 R356
TM7
7x34 7.35x34 I372
7x38 7.39x38 H376
7x42 7.43x42 Y380