PDB
7MBY
Resolution
2.4 Å
Released
May 26, 2021
Receptor
CCK1
Class
A
Species
Homo sapiens
Ligand
CCK-8 (Human)
Function
Agonist
Reference
10.1371/JOURNAL.PBIO.3001295

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Ligand Amino Acid Generic Number Segment Interaction Type
CCK-8 (Human) C94 2.57x56 TM2 polar (hydrogen bond)
CCK-8 (Human) C94 2.57x56 TM2 Van der Waals
CCK-8 (Human) N98 2.61x60 TM2 polar (hydrogen bond)
CCK-8 (Human) P101 2.64x63 TM2 Van der Waals
CCK-8 (Human) P101 2.64x63 TM2 polar (hydrogen bond with backbone)
CCK-8 (Human) N102 2.65x64 TM2 Van der Waals
CCK-8 (Human) K105 ECL1 Van der Waals
CCK-8 (Human) D106 23.49x49 ECL1 Van der Waals
CCK-8 (Human) M121 3.32x32 TM3 hydrophobic
CCK-8 (Human) M121 3.32x32 TM3 Van der Waals
CCK-8 (Human) V125 3.36x36 TM3 Van der Waals
CCK-8 (Human) V125 3.36x36 TM3 hydrophobic
CCK-8 (Human) Y176 4.60x61 TM4 hydrophobic
CCK-8 (Human) Y176 4.60x61 TM4 Van der Waals
CCK-8 (Human) F185 ECL2 Van der Waals
CCK-8 (Human) F185 ECL2 hydrophobic
CCK-8 (Human) M195 ECL2 Van der Waals
CCK-8 (Human) C196 45.50x50 ECL2 Van der Waals
CCK-8 (Human) R197 45.51x51 ECL2 polar (charge-assisted hydrogen bond)
CCK-8 (Human) F198 45.52x52 ECL2 Van der Waals
CCK-8 (Human) H210 5.39x40 TM5 Van der Waals
CCK-8 (Human) L217 5.46x461 TM5 hydrophobic
CCK-8 (Human) I329 6.51x51 TM6 Van der Waals
CCK-8 (Human) F330 6.52x52 TM6 hydrophobic
CCK-8 (Human) F330 6.52x52 TM6 Van der Waals
CCK-8 (Human) N333 6.55x55 TM6 Van der Waals
CCK-8 (Human) R336 6.58x58 TM6 polar (charge-assisted hydrogen bond)
CCK-8 (Human) A343 ECL3 Van der Waals
CCK-8 (Human) A343 ECL3 hydrophobic
CCK-8 (Human) E344 ECL3 Van der Waals
CCK-8 (Human) L347 ECL3 hydrophobic
CCK-8 (Human) S348 ECL3 polar (hydrogen bond)
CCK-8 (Human) S348 ECL3 polar (hydrogen bond)
CCK-8 (Human) S348 ECL3 Van der Waals
CCK-8 (Human) I352 7.35x34 TM7 hydrophobic
CCK-8 (Human) I352 7.35x34 TM7 Van der Waals
CCK-8 (Human) L356 7.39x38 TM7 Van der Waals
CCK-8 (Human) Y360 7.43x42 TM7 polar (hydrogen bond)
CCK-8 (Human) Y360 7.43x42 TM7 polar (hydrogen bond)
CCK-8 (Human) Y360 7.43x42 TM7 Van der Waals

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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
2x56 2.57x56 C94
2x60 2.61x60 N98
2x63 2.64x63 P101
2x64 2.65x64 N102
ECL1
23x49 23.49x49 D106
TM3
3x32 3.32x32 M121
3x36 3.36x36 V125
TM4
4x61 4.60x61 Y176
ECL2
45x50 45.50x50 C196
45x51 45.51x51 R197
45x52 45.52x52 F198
TM5
5x40 5.39x40 H210
5x461 5.46x461 L217
TM6
6x51 6.51x51 I329
6x52 6.52x52 F330
6x55 6.55x55 N333
6x58 6.58x58 R336
TM7
7x34 7.35x34 I352
7x38 7.39x38 L356
7x42 7.43x42 Y360