PDB
8IA7
Resolution
3.1 Å
Released
Dec. 6, 2023
Receptor
CCK2
Class
A
Species
Homo sapiens
Ligand
Function
CCK-8 (Human)
Agonist
Reference
10.1038/S41421-022-00420-3

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Ligand Amino Acid Generic Number Segment Interaction Type
CCK-8 (Human) C107 2.57x56 TM2 Van der Waals
CCK-8 (Human) P114 2.64x63 TM2 Van der Waals
CCK-8 (Human) N115 2.65x64 TM2 Van der Waals
CCK-8 (Human) G118 ECL1 Van der Waals
CCK-8 (Human) C127 3.25x25 TM3 hydrophobic
CCK-8 (Human) S131 3.29x29 TM3 Van der Waals
CCK-8 (Human) M134 3.32x32 TM3 hydrophobic
CCK-8 (Human) G135 3.33x33 TM3 Van der Waals
CCK-8 (Human) V138 3.36x36 TM3 hydrophobic
CCK-8 (Human) Y189 4.60x61 TM4 polar (hydrogen bond)
CCK-8 (Human) Q204 ECL2 polar (hydrogen bond)
CCK-8 (Human) C205 45.50x50 ECL2 Van der Waals
CCK-8 (Human) V206 45.51x51 ECL2 Van der Waals
CCK-8 (Human) H207 45.52x52 ECL2 Van der Waals
CCK-8 (Human) V349 6.51x51 TM6 hydrophobic
CCK-8 (Human) A352 6.54x54 TM6 hydrophobic
CCK-8 (Human) N353 6.55x55 TM6 polar (hydrogen bond)
CCK-8 (Human) R356 6.58x58 TM6 polar (charge-charge)
CCK-8 (Human) R356 6.58x58 TM6 hydrophobic
CCK-8 (Human) R356 6.58x58 TM6 aromatic (pi-cation)
CCK-8 (Human) A363 ECL3 hydrophobic
CCK-8 (Human) H364 ECL3 Van der Waals
CCK-8 (Human) L367 ECL3 Van der Waals
CCK-8 (Human) S368 ECL3 Van der Waals
CCK-8 (Human) I372 7.35x34 TM7 hydrophobic
CCK-8 (Human) H376 7.39x38 TM7 polar (hydrogen bond)
CCK-8 (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
2x63 2.64x63 P114
2x64 2.65x64 N115
TM3
3x25 3.25x25 C127
3x29 3.29x29 S131
3x32 3.32x32 M134
3x33 3.33x33 G135
3x36 3.36x36 V138
TM4
4x61 4.60x61 Y189
ECL2
45x50 45.50x50 C205
45x51 45.51x51 V206
45x52 45.52x52 H207
TM6
6x51 6.51x51 V349
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