PDB
7F8Y
Resolution
2.5 Å
Released
Oct. 13, 2021
Receptor
CCK1
Class
A
Species
Homo sapiens
Ligand
Function
devazepide
Antagonist
Reference
10.1038/S41589-021-00866-8

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Ligand Amino Acid Generic Number Segment Interaction Type
devazepide N98 2.61x60 TM2 Van der Waals
devazepide T117 3.28x28 TM3 hydrophobic
devazepide T118 3.29x29 TM3 hydrophobic
devazepide M121 3.32x32 TM3 hydrophobic
devazepide G122 3.33x33 TM3 Van der Waals
devazepide Y176 4.60x61 TM4 hydrophobic
devazepide C196 45.50x50 ECL2 Van der Waals
devazepide R197 45.51x51 ECL2 Van der Waals
devazepide I329 6.51x51 TM6 Van der Waals
devazepide F330 6.52x52 TM6 aromatic (edge-to-face)
devazepide F330 6.52x52 TM6 hydrophobic
devazepide A332 6.54x54 TM6 hydrophobic
devazepide N333 6.55x55 TM6 polar (hydrogen bond)
devazepide N333 6.55x55 TM6 polar (hydrogen bond)
devazepide R336 6.58x58 TM6 aromatic (pi-cation)
devazepide R336 6.58x58 TM6 hydrophobic
devazepide R336 6.58x58 TM6 polar (hydrogen bond)
devazepide A343 ECL3 hydrophobic
devazepide E344 ECL3 Van der Waals
devazepide L347 ECL3 hydrophobic
devazepide S348 ECL3 Van der Waals
devazepide I352 7.35x34 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
CCK1 receptor
TM2
2x60 2.61x60 N98
TM3
3x28 3.28x28 T117
3x29 3.29x29 T118
3x32 3.32x32 M121
3x33 3.33x33 G122
TM4
4x61 4.60x61 Y176
ECL2
45x50 45.50x50 C196
45x51 45.51x51 R197
TM6
6x51 6.51x51 I329
6x52 6.52x52 F330
6x54 6.54x54 A332
6x55 6.55x55 N333
6x58 6.58x58 R336
TM7
7x34 7.35x34 I352