PDB
8F2B
Resolution
2.0 Å
Released
Aug. 2, 2023
Receptor
CT
Class
B1
Species
Homo sapiens
Ligands
Function
pramlintide analogue San45
Agonist
N-hexadecanoyl-L-glutamic acid
Agonist
Reference
10.1038/S41589-023-01393-4
pramlintide analogue San45 N-hexadecanoyl-L-glutamic acid

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Ligand Amino Acid Generic Number Segment Interaction Type
pramlintide analogue San45 D77 N-term Van der Waals
pramlintide analogue San45 G78 N-term Van der Waals
pramlintide analogue San45 W79 N-term aromatic (edge-to-face)
pramlintide analogue San45 W79 N-term hydrophobic
pramlintide analogue San45 F99 N-term hydrophobic
pramlintide analogue San45 P100 N-term Van der Waals
pramlintide analogue San45 D101 N-term hydrophobic
pramlintide analogue San45 D101 N-term polar (hydrogen bond)
pramlintide analogue San45 F102 N-term hydrophobic
pramlintide analogue San45 D103 N-term Van der Waals
pramlintide analogue San45 P104 N-term hydrophobic
pramlintide analogue San45 H121 N-term Van der Waals
pramlintide analogue San45 E123 N-term polar (hydrogen bond)
pramlintide analogue San45 N124 N-term polar (hydrogen bond)
pramlintide analogue San45 R126 N-term polar (hydrogen bond)
pramlintide analogue San45 W128 N-term polar (hydrogen bond)
pramlintide analogue San45 S129 N-term polar (hydrogen bond)
pramlintide analogue San45 Y131 N-term hydrophobic
pramlintide analogue San45 T132 1.23x23 TM1 Van der Waals
pramlintide analogue San45 N135 1.26x26 TM1 polar (hydrogen bond)
pramlintide analogue San45 K141 1.32x32 TM1 hydrophobic
pramlintide analogue San45 L142 1.33x33 TM1 hydrophobic
pramlintide analogue San45 A145 1.36x36 TM1 hydrophobic
pramlintide analogue San45 Y146 1.37x37 TM1 hydrophobic
pramlintide analogue San45 Y146 1.37x37 TM1 aromatic (edge-to-face)
pramlintide analogue San45 L148 1.39x39 TM1 hydrophobic
N-hexadecanoyl-L-glutamic acid Y149 1.40x40 TM1 hydrophobic
pramlintide analogue San45 Y149 1.40x40 TM1 hydrophobic
N-hexadecanoyl-L-glutamic acid Y150 1.41x41 TM1 polar (hydrogen bond)
N-hexadecanoyl-L-glutamic acid I153 1.44x44 TM1 hydrophobic
N-hexadecanoyl-L-glutamic acid S157 1.48x48 TM1 Van der Waals
N-hexadecanoyl-L-glutamic acid I160 1.51x51 TM1 hydrophobic
N-hexadecanoyl-L-glutamic acid F161 1.52x52 TM1 hydrophobic
N-hexadecanoyl-L-glutamic acid V164 1.55x55 TM1 Van der Waals
pramlintide analogue San45 I198 2.64x64 TM2 Van der Waals
N-hexadecanoyl-L-glutamic acid I199 2.65x65 TM2 Van der Waals
pramlintide analogue San45 H201 2.67x67 TM2 Van der Waals
N-hexadecanoyl-L-glutamic acid V203 2.69x69 TM2 hydrophobic
pramlintide analogue San45 V206 ECL1 hydrophobic
N-hexadecanoyl-L-glutamic acid P207 ECL1 Van der Waals
pramlintide analogue San45 P207 ECL1 hydrophobic
pramlintide analogue San45 V212 ECL1 Van der Waals
pramlintide analogue San45 H226 3.36x36 TM3 polar (hydrogen bond)
pramlintide analogue San45 M230 3.40x40 TM3 Van der Waals
pramlintide analogue San45 Y234 3.44x44 TM3 hydrophobic
pramlintide analogue San45 L291 45.52x52 ECL2 hydrophobic
pramlintide analogue San45 L291 45.52x52 ECL2 polar (hydrogen bond with backbone)
pramlintide analogue San45 S292 ECL2 Van der Waals
pramlintide analogue San45 V293 ECL2 polar (hydrogen bond with backbone)
pramlintide analogue San45 V293 ECL2 hydrophobic
pramlintide analogue San45 E294 ECL2 polar (charge-charge)
pramlintide analogue San45 E294 ECL2 polar (hydrogen bond with backbone)
pramlintide analogue San45 E294 ECL2 polar (hydrogen bond)
pramlintide analogue San45 L298 5.36x37 TM5 Van der Waals
pramlintide analogue San45 Y299 5.37x38 TM5 polar (hydrogen bond)
pramlintide analogue San45 Y299 5.37x38 TM5 hydrophobic
pramlintide analogue San45 H302 5.40x40 TM5 polar (hydrogen bond)
pramlintide analogue San45 V305 5.43x43 TM5 hydrophobic
pramlintide analogue San45 M306 5.44x44 TM5 hydrophobic
pramlintide analogue San45 L309 5.47x47 TM5 Van der Waals
pramlintide analogue San45 F356 6.53x53 TM6 hydrophobic
pramlintide analogue San45 F359 6.56x56 TM6 Van der Waals
pramlintide analogue San45 P360 ECL3 polar (hydrogen bond with backbone)
pramlintide analogue San45 W361 ECL3 Van der Waals
pramlintide analogue San45 R362 ECL3 polar (hydrogen bond with backbone)
pramlintide analogue San45 Y372 7.38x37 TM7 Van der Waals
pramlintide analogue San45 M376 7.42x41 TM7 hydrophobic
pramlintide analogue San45 H377 7.43x42 TM7 Van der Waals
pramlintide analogue San45 I380 7.46x45 TM7 hydrophobic
pramlintide analogue San45 H381 7.47x46 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(B)
CT receptor
TM1
1x19 1.23x23 T132
1x22 1.26x26 N135
1x28 1.32x32 K141
1x29 1.33x33 L142
1x32 1.36x36 A145
1x33 1.37x37 Y146
1x35 1.39x39 L148
1x36 1.40x40 Y149
1x37 1.41x41 Y150
1x40 1.44x44 I153
1x44 1.48x48 S157
1x47 1.51x51 I160
1x48 1.52x52 F161
1x51 1.55x55 V164
TM2
2x57 2.64x64 I198
2x58 2.65x65 I199
2x60 2.67x67 H201
2x62 2.69x69 V203
TM3
3x32 3.36x36 H226
3x36 3.40x40 M230
3x40 3.44x44 Y234
ECL2
45x52 45.52x52 L291
TM5
5x41 5.36x37 L298
5x42 5.37x38 Y299
5x44 5.40x40 H302
5x47 5.43x43 V305
5x48 5.44x44 M306
5x51 5.47x47 L309
TM6
6x48 6.53x53 F356
6x51 6.56x56 F359
TM7
7x33 7.38x37 Y372
7x37 7.42x41 M376
7x38 7.43x42 H377
7x41 7.46x45 I380
7x42 7.47x46 H381