PDB
9P94
Resolution
3.0 Å
Released
Nov. 19, 2025
Receptor
PAC1
Class
B1
Species
Homo sapiens
Ligand
PACAP-27 (Human)
Function
Agonist
Reference
10.1073/PNAS.2521157122

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Ligand Amino Acid Generic Number Segment Interaction Type
PACAP-27 (Human) F81 N-term hydrophobic
PACAP-27 (Human) I83 N-term polar (hydrogen bond with backbone)
PACAP-27 (Human) I83 N-term Van der Waals
PACAP-27 (Human) F84 N-term hydrophobic
PACAP-27 (Human) F84 N-term Van der Waals
PACAP-27 (Human) F136 N-term hydrophobic
PACAP-27 (Human) F136 N-term Van der Waals
PACAP-27 (Human) Q146 1.32x32 TM1 Van der Waals
PACAP-27 (Human) D147 1.33x33 TM1 Van der Waals
PACAP-27 (Human) Y150 1.36x36 TM1 hydrophobic
PACAP-27 (Human) Y150 1.36x36 TM1 Van der Waals
PACAP-27 (Human) V153 1.39x39 TM1 Van der Waals
PACAP-27 (Human) V153 1.39x39 TM1 hydrophobic
PACAP-27 (Human) Y157 1.43x43 TM1 aromatic (edge-to-face)
PACAP-27 (Human) Y157 1.43x43 TM1 Van der Waals
PACAP-27 (Human) Y161 1.47x47 TM1 polar (hydrogen bond)
PACAP-27 (Human) Y161 1.47x47 TM1 Van der Waals
PACAP-27 (Human) R199 2.60x60 TM2 polar (charge-assisted hydrogen bond)
PACAP-27 (Human) K206 2.67x67 TM2 polar (charge-assisted hydrogen bond)
PACAP-27 (Human) Y211 ECL1 polar (hydrogen bond)
PACAP-27 (Human) Y211 ECL1 aromatic (face-to-edge)
PACAP-27 (Human) Y211 ECL1 polar (hydrogen bond)
PACAP-27 (Human) F233 3.36x36 TM3 Van der Waals
PACAP-27 (Human) F233 3.36x36 TM3 hydrophobic
PACAP-27 (Human) H234 3.37x37 TM3 aromatic (face-to-edge)
PACAP-27 (Human) V237 3.40x40 TM3 hydrophobic
PACAP-27 (Human) V237 3.40x40 TM3 Van der Waals
PACAP-27 (Human) Y241 3.44x44 TM3 Van der Waals
PACAP-27 (Human) Y241 3.44x44 TM3 hydrophobic
PACAP-27 (Human) D298 45.52x52 ECL2 polar (charge-assisted hydrogen bond)
PACAP-27 (Human) M299 ECL2 Van der Waals
PACAP-27 (Human) M299 ECL2 hydrophobic
PACAP-27 (Human) N300 ECL2 Van der Waals
PACAP-27 (Human) D301 ECL2 polar (charge-assisted hydrogen bond)
PACAP-27 (Human) W306 5.36x37 TM5 hydrophobic
PACAP-27 (Human) W306 5.36x37 TM5 Van der Waals
PACAP-27 (Human) K310 5.40x40 TM5 polar (charge-assisted hydrogen bond)
PACAP-27 (Human) E374 ECL3 Van der Waals
PACAP-27 (Human) K378 7.35x34 TM7 polar (charge-assisted hydrogen bond)
PACAP-27 (Human) R381 7.38x37 TM7 Van der Waals
PACAP-27 (Human) L382 7.39x38 TM7 hydrophobic
PACAP-27 (Human) L382 7.39x38 TM7 Van der Waals
PACAP-27 (Human) E385 7.42x41 TM7 Van der Waals
PACAP-27 (Human) L386 7.43x42 TM7 hydrophobic
PACAP-27 (Human) L386 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(B)
PAC1 receptor
TM1
1x28 1.32x32 Q146
1x29 1.33x33 D147
1x32 1.36x36 Y150
1x35 1.39x39 V153
1x39 1.43x43 Y157
1x43 1.47x47 Y161
TM2
2x53 2.60x60 R199
2x60 2.67x67 K206
TM3
3x32 3.36x36 F233
3x33 3.37x37 H234
3x36 3.40x40 V237
3x40 3.44x44 Y241
ECL2
45x52 45.52x52 D298
TM5
5x41 5.36x37 W306
5x44 5.40x40 K310
TM7
7x30 7.35x34 K378
7x33 7.38x37 R381
7x34 7.39x38 L382
7x37 7.42x41 E385
7x38 7.43x42 L386