PDB
8JIP
Resolution
2.9 Å
Released
Sept. 6, 2023
Receptor
GLP-1
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 L32 N-term Van der Waals
COTADUTIDE L32 N-term polar (hydrogen bond with backbone)
COTADUTIDE T35 N-term Van der Waals
COTADUTIDE V36 N-term Van der Waals
COTADUTIDE V36 N-term hydrophobic
COTADUTIDE W39 N-term aromatic (face-to-edge)
COTADUTIDE W39 N-term Van der Waals
COTADUTIDE E68 N-term Van der Waals
COTADUTIDE Y69 N-term Van der Waals
COTADUTIDE P86 N-term Van der Waals
COTADUTIDE Y88 N-term polar (hydrogen bond)
COTADUTIDE Y88 N-term polar (hydrogen bond)
COTADUTIDE L89 N-term Van der Waals
COTADUTIDE L89 N-term hydrophobic
COTADUTIDE E138 N-term Van der Waals
COTADUTIDE L141 1.36x36 TM1 hydrophobic
COTADUTIDE L141 1.36x36 TM1 Van der Waals
COTADUTIDE L144 1.39x39 TM1 hydrophobic
N-hexadecanoyl-L-glutamic acid Y145 1.40x40 TM1 polar (hydrogen bond)
COTADUTIDE Y145 1.40x40 TM1 polar (hydrogen bond)
N-hexadecanoyl-L-glutamic acid I146 1.41x41 TM1 hydrophobic
N-hexadecanoyl-L-glutamic acid I146 1.41x41 TM1 Van der Waals
COTADUTIDE I146 1.41x41 TM1 hydrophobic
COTADUTIDE I146 1.41x41 TM1 Van der Waals
COTADUTIDE Y148 1.43x43 TM1 aromatic (edge-to-face)
COTADUTIDE Y148 1.43x43 TM1 Van der Waals
N-hexadecanoyl-L-glutamic acid T149 1.44x44 TM1 Van der Waals
COTADUTIDE T149 1.44x44 TM1 Van der Waals
N-hexadecanoyl-L-glutamic acid V150 1.45x45 TM1 Van der Waals
COTADUTIDE V150 1.45x45 TM1 Van der Waals
COTADUTIDE Y152 1.47x47 TM1 polar (hydrogen bond)
COTADUTIDE Y152 1.47x47 TM1 Van der Waals
N-hexadecanoyl-L-glutamic acid A153 1.48x48 TM1 Van der Waals
N-hexadecanoyl-L-glutamic acid A153 1.48x48 TM1 polar (hydrogen bond with backbone)
COTADUTIDE A153 1.48x48 TM1 polar (hydrogen bond with backbone)
COTADUTIDE A153 1.48x48 TM1 Van der Waals
COTADUTIDE L154 1.49x49 TM1 polar (hydrogen bond with backbone)
COTADUTIDE L154 1.49x49 TM1 Van der Waals
N-hexadecanoyl-L-glutamic acid L154 1.49x49 TM1 polar (hydrogen bond with backbone)
N-hexadecanoyl-L-glutamic acid L154 1.49x49 TM1 Van der Waals
COTADUTIDE S157 1.52x52 TM1 polar (hydrogen bond)
N-hexadecanoyl-L-glutamic acid S157 1.52x52 TM1 polar (hydrogen bond)
COTADUTIDE K197 2.67x67 TM2 polar (charge-assisted hydrogen bond)
COTADUTIDE K202 2.72x72 TM2 polar (charge-assisted hydrogen bond)
N-hexadecanoyl-L-glutamic acid K202 2.72x72 TM2 polar (charge-assisted hydrogen bond)
COTADUTIDE Y205 2.75x75 TM2 polar (hydrogen bond)
COTADUTIDE Y205 2.75x75 TM2 polar (hydrogen bond)
COTADUTIDE S206 ECL1 Van der Waals
COTADUTIDE W214 ECL1 aromatic (face-to-face)
COTADUTIDE W214 ECL1 Van der Waals
COTADUTIDE V237 3.40x40 TM3 Van der Waals
COTADUTIDE V237 3.40x40 TM3 hydrophobic
COTADUTIDE T298 45.52x52 ECL2 Van der Waals
COTADUTIDE R299 ECL2 polar (charge-assisted hydrogen bond)
COTADUTIDE N300 ECL2 Van der Waals
COTADUTIDE W306 5.36x37 TM5 hydrophobic
COTADUTIDE W306 5.36x37 TM5 Van der Waals
COTADUTIDE R380 7.35x34 TM7 polar (charge-assisted hydrogen bond)
COTADUTIDE L384 7.39x38 TM7 Van der Waals
COTADUTIDE E387 7.42x41 TM7 Van der Waals
COTADUTIDE L388 7.43x42 TM7 hydrophobic
COTADUTIDE L388 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(B)
GLP-1 receptor
TM1
1x32 1.36x36 L141
1x35 1.39x39 L144
1x36 1.40x40 Y145
1x37 1.41x41 I146
1x39 1.43x43 Y148
1x40 1.44x44 T149
1x41 1.45x45 V150
1x43 1.47x47 Y152
1x44 1.48x48 A153
1x45 1.49x49 L154
1x48 1.52x52 S157
TM2
2x60 2.67x67 K197
2x65 2.72x72 K202
2x68 2.75x75 Y205
TM3
3x36 3.40x40 V237
ECL2
45x52 45.52x52 T298
TM5
5x41 5.36x37 W306
TM7
7x30 7.35x34 R380
7x34 7.39x38 L384
7x37 7.42x41 E387
7x38 7.43x42 L388