Structure information

PAC1 receptor

PROTEIN CLASS

Class B1 (Secretin)

PDB CODE

6M1I

SPECIES

Homo sapiens

RESOLUTION

3.500

PREFERRED CHAIN

A

REFERENCE

10.1038/S41422-020-0280-2

PUBLICATION DATE

March 11, 2020

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
[Ac-His<sup>1</sup>]PACAP-27 D23 N-term Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 D23 N-term polar (hydrogen bond with backbone)
[Ac-His<sup>1</sup>]PACAP-27 I26 N-term Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 I26 N-term hydrophobic
[Ac-His<sup>1</sup>]PACAP-27 F27 N-term Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 N60 N-term Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 I61 N-term Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 I61 N-term hydrophobic
[Ac-His<sup>1</sup>]PACAP-27 L80 N-term Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 L80 N-term hydrophobic
[Ac-His<sup>1</sup>]PACAP-27 I83 N-term Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 I83 N-term hydrophobic
[Ac-His<sup>1</sup>]PACAP-27 F84 N-term hydrophobic
[Ac-His<sup>1</sup>]PACAP-27 F84 N-term Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 D145 N-term polar (charge-assisted hydrogen bond)
[Ac-His<sup>1</sup>]PACAP-27 Q146 1.32x32 TM1 Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 D147 1.33x33 TM1 polar (hydrogen bond with backbone)
[Ac-His<sup>1</sup>]PACAP-27 D147 1.33x33 TM1 Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 Y150 1.36x36 TM1 polar (hydrogen bond)
[Ac-His<sup>1</sup>]PACAP-27 Y150 1.36x36 TM1 polar (hydrogen bond)
[Ac-His<sup>1</sup>]PACAP-27 Y150 1.36x36 TM1 aromatic (face-to-face)
[Ac-His<sup>1</sup>]PACAP-27 V153 1.39x39 TM1 hydrophobic
[Ac-His<sup>1</sup>]PACAP-27 V153 1.39x39 TM1 Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 K154 1.40x40 TM1 Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 Y157 1.43x43 TM1 Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 Y157 1.43x43 TM1 aromatic (edge-to-face)
[Ac-His<sup>1</sup>]PACAP-27 Y161 1.47x47 TM1 polar (hydrogen bond)
[Ac-His<sup>1</sup>]PACAP-27 R199 2.60x60 TM2 polar (charge-assisted hydrogen bond)
[Ac-His<sup>1</sup>]PACAP-27 L210 2.71x71 TM2 polar (hydrogen bond with backbone)
[Ac-His<sup>1</sup>]PACAP-27 L210 2.71x71 TM2 Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 D215 ECL1 polar (charge-assisted hydrogen bond)
[Ac-His<sup>1</sup>]PACAP-27 C219 ECL1 polar (hydrogen bond with backbone)
[Ac-His<sup>1</sup>]PACAP-27 C219 ECL1 Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 F233 3.36x36 TM3 hydrophobic
[Ac-His<sup>1</sup>]PACAP-27 F233 3.36x36 TM3 Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 V237 3.40x40 TM3 hydrophobic
[Ac-His<sup>1</sup>]PACAP-27 V237 3.40x40 TM3 Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 D298 45.52x52 ECL2 Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 M299 ECL2 Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 M299 ECL2 hydrophobic
[Ac-His<sup>1</sup>]PACAP-27 D301 ECL2 polar (charge-assisted hydrogen bond)
[Ac-His<sup>1</sup>]PACAP-27 W306 5.36x37 TM5 Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 W306 5.36x37 TM5 hydrophobic
[Ac-His<sup>1</sup>]PACAP-27 L382 7.39x38 TM7 hydrophobic
[Ac-His<sup>1</sup>]PACAP-27 L382 7.39x38 TM7 Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 E385 7.42x41 TM7 Van der Waals
[Ac-His<sup>1</sup>]PACAP-27 L386 7.43x42 TM7 hydrophobic
[Ac-His<sup>1</sup>]PACAP-27 L386 7.43x42 TM7 Van der Waals

Ligands

[Ac-His<sup>1</sup>]PACAP-27

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Residue Diagrams

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
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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
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Residue Table


GPCRdb(A)
GPCRdb(B)
PAC1 receptor
TM1
1x28 1.32x32 Q146
1x29 1.33x33 D147
1x32 1.36x36 Y150
1x35 1.39x39 V153
1x36 1.40x40 K154
1x39 1.43x43 Y157
1x43 1.47x47 Y161
TM2
2x53 2.60x60 R199
2x64 2.71x71 L210
TM3
3x32 3.36x36 F233
3x36 3.40x40 V237
ECL2
45x52 45.52x52 D298
TM5
5x41 5.36x37 W306
TM7
7x34 7.39x38 L382
7x37 7.42x41 E385
7x38 7.43x42 L386