PDB
8JIT
Resolution
2.9 Å
Released
Sept. 6, 2023
Receptor
glucagon
Class
B1
Species
Homo sapiens
Ligands
COTADUTIDE
N-hexadecanoyl-L-glutamic acid
Function
Agonist
Agonist
Reference
10.1073/PNAS.2303696120
COTADUTIDE N-hexadecanoyl-L-glutamic acid

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Ligand Amino Acid Generic Number Segment Interaction Type
COTADUTIDE Q27 N-term Van der Waals
COTADUTIDE Q27 N-term polar (hydrogen bond with backbone)
COTADUTIDE V28 N-term polar (hydrogen bond with backbone)
COTADUTIDE V28 N-term Van der Waals
COTADUTIDE M29 N-term Van der Waals
COTADUTIDE M29 N-term polar (hydrogen bond with backbone)
COTADUTIDE L32 N-term hydrophobic
COTADUTIDE L32 N-term Van der Waals
COTADUTIDE W36 N-term Van der Waals
COTADUTIDE W36 N-term hydrophobic
COTADUTIDE K64 N-term Van der Waals
COTADUTIDE Y65 N-term hydrophobic
COTADUTIDE Y65 N-term Van der Waals
COTADUTIDE Y84 N-term Van der Waals
COTADUTIDE W87 N-term hydrophobic
COTADUTIDE M123 N-term Van der Waals
COTADUTIDE Q131 1.29x29 TM1 Van der Waals
COTADUTIDE V134 1.32x32 TM1 Van der Waals
COTADUTIDE A135 1.33x33 TM1 hydrophobic
COTADUTIDE A135 1.33x33 TM1 Van der Waals
COTADUTIDE Y138 1.36x36 TM1 hydrophobic
COTADUTIDE Y138 1.36x36 TM1 Van der Waals
COTADUTIDE S139 1.37x37 TM1 polar (hydrogen bond)
N-hexadecanoyl-L-glutamic acid S139 1.37x37 TM1 polar (hydrogen bond)
COTADUTIDE F141 1.39x39 TM1 Van der Waals
COTADUTIDE F141 1.39x39 TM1 hydrophobic
N-hexadecanoyl-L-glutamic acid Q142 1.40x40 TM1 polar (hydrogen bond)
COTADUTIDE Q142 1.40x40 TM1 polar (hydrogen bond)
COTADUTIDE Q142 1.40x40 TM1 polar (hydrogen bond)
N-hexadecanoyl-L-glutamic acid Q142 1.40x40 TM1 polar (hydrogen bond)
N-hexadecanoyl-L-glutamic acid V143 1.41x41 TM1 polar (hydrogen bond with backbone)
COTADUTIDE V143 1.41x41 TM1 Van der Waals
COTADUTIDE V143 1.41x41 TM1 polar (hydrogen bond with backbone)
N-hexadecanoyl-L-glutamic acid V143 1.41x41 TM1 Van der Waals
COTADUTIDE Y145 1.43x43 TM1 Van der Waals
COTADUTIDE Y145 1.43x43 TM1 aromatic (face-to-edge)
COTADUTIDE T146 1.44x44 TM1 polar (hydrogen bond)
N-hexadecanoyl-L-glutamic acid T146 1.44x44 TM1 polar (hydrogen bond)
COTADUTIDE V147 1.45x45 TM1 Van der Waals
N-hexadecanoyl-L-glutamic acid V147 1.45x45 TM1 Van der Waals
N-hexadecanoyl-L-glutamic acid V147 1.45x45 TM1 polar (hydrogen bond with backbone)
COTADUTIDE V147 1.45x45 TM1 polar (hydrogen bond with backbone)
COTADUTIDE Y149 1.47x47 TM1 Van der Waals
COTADUTIDE Y149 1.47x47 TM1 polar (hydrogen bond)
COTADUTIDE S150 1.48x48 TM1 polar (hydrogen bond)
N-hexadecanoyl-L-glutamic acid S150 1.48x48 TM1 polar (hydrogen bond)
COTADUTIDE L151 1.49x49 TM1 hydrophobic
N-hexadecanoyl-L-glutamic acid L151 1.49x49 TM1 Van der Waals
N-hexadecanoyl-L-glutamic acid L151 1.49x49 TM1 hydrophobic
COTADUTIDE L151 1.49x49 TM1 Van der Waals
COTADUTIDE V191 2.64x64 TM2 hydrophobic
COTADUTIDE V191 2.64x64 TM2 Van der Waals
COTADUTIDE R199 2.72x72 TM2 polar (charge-assisted hydrogen bond)
N-hexadecanoyl-L-glutamic acid R199 2.72x72 TM2 polar (charge-assisted hydrogen bond)
COTADUTIDE Y202 2.75x75 TM2 Van der Waals
COTADUTIDE Y202 2.75x75 TM2 hydrophobic
COTADUTIDE Q204 ECL1 Van der Waals
COTADUTIDE Q204 ECL1 polar (hydrogen bond with backbone)
COTADUTIDE I206 ECL1 Van der Waals
COTADUTIDE I206 ECL1 polar (hydrogen bond with backbone)
COTADUTIDE G207 ECL1 polar (hydrogen bond with backbone)
COTADUTIDE G207 ECL1 Van der Waals
COTADUTIDE D208 ECL1 Van der Waals
COTADUTIDE V212 ECL1 Van der Waals
COTADUTIDE W215 ECL1 Van der Waals
COTADUTIDE W215 ECL1 hydrophobic
COTADUTIDE Q232 3.37x37 TM3 Van der Waals
COTADUTIDE I235 3.40x40 TM3 Van der Waals
COTADUTIDE I235 3.40x40 TM3 hydrophobic
COTADUTIDE Y239 3.44x44 TM3 polar (hydrogen bond)
COTADUTIDE T296 45.52x52 ECL2 Van der Waals
COTADUTIDE S297 ECL2 Van der Waals
COTADUTIDE N298 ECL2 Van der Waals
COTADUTIDE N298 ECL2 polar (hydrogen bond with backbone)
COTADUTIDE W304 5.36x37 TM5 Van der Waals
COTADUTIDE W304 5.36x37 TM5 hydrophobic
COTADUTIDE V311 5.43x43 TM5 Van der Waals
COTADUTIDE V311 5.43x43 TM5 hydrophobic
COTADUTIDE R378 7.35x34 TM7 polar (charge-assisted hydrogen bond)
COTADUTIDE K381 7.38x37 TM7 Van der Waals
COTADUTIDE L382 7.39x38 TM7 hydrophobic
COTADUTIDE L382 7.39x38 TM7 Van der Waals
COTADUTIDE D385 7.42x41 TM7 Van der Waals
COTADUTIDE L386 7.43x42 TM7 hydrophobic
COTADUTIDE L386 7.43x42 TM7 Van der Waals

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Download PDB file

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

GPCRdb(A)
GPCRdb(B)
glucagon receptor
TM1
1x25 1.29x29 Q131
1x28 1.32x32 V134
1x29 1.33x33 A135
1x32 1.36x36 Y138
1x33 1.37x37 S139
1x35 1.39x39 F141
1x36 1.40x40 Q142
1x37 1.41x41 V143
1x39 1.43x43 Y145
1x40 1.44x44 T146
1x41 1.45x45 V147
1x43 1.47x47 Y149
1x44 1.48x48 S150
1x45 1.49x49 L151
TM2
2x57 2.64x64 V191
2x65 2.72x72 R199
2x68 2.75x75 Y202
TM3
3x33 3.37x37 Q232
3x36 3.40x40 I235
3x40 3.44x44 Y239
ECL2
45x52 45.52x52 T296
TM5
5x41 5.36x37 W304
5x47 5.43x43 V311
TM7
7x30 7.35x34 R378
7x33 7.38x37 K381
7x34 7.39x38 L382
7x37 7.42x41 D385
7x38 7.43x42 L386