PDB
7DUQ
Resolution
2.5 Å
Released
July 14, 2021
Receptor
GLP-1
Class
B1
Species
Homo sapiens
Ligands
glucagon-like peptide 1-(7-37) (Human)
Compound 2
Function
Agonist
Ago-PAM
Reference
10.1038/S41467-021-24058-Z
glucagon-like peptide 1-(7-37) (Human) Compound 2

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Ligand Amino Acid Generic Number Segment Interaction Type
glucagon-like peptide 1-(7-37) (Human) L32 N-term polar (hydrogen bond with backbone)
glucagon-like peptide 1-(7-37) (Human) L32 N-term Van der Waals
glucagon-like peptide 1-(7-37) (Human) T35 N-term Van der Waals
glucagon-like peptide 1-(7-37) (Human) V36 N-term hydrophobic
glucagon-like peptide 1-(7-37) (Human) V36 N-term Van der Waals
glucagon-like peptide 1-(7-37) (Human) W39 N-term Van der Waals
glucagon-like peptide 1-(7-37) (Human) W39 N-term aromatic (face-to-edge)
glucagon-like peptide 1-(7-37) (Human) E68 N-term Van der Waals
glucagon-like peptide 1-(7-37) (Human) Y69 N-term hydrophobic
glucagon-like peptide 1-(7-37) (Human) Y69 N-term Van der Waals
glucagon-like peptide 1-(7-37) (Human) Y88 N-term Van der Waals
glucagon-like peptide 1-(7-37) (Human) Y88 N-term hydrophobic
glucagon-like peptide 1-(7-37) (Human) L89 N-term Van der Waals
glucagon-like peptide 1-(7-37) (Human) L89 N-term hydrophobic
glucagon-like peptide 1-(7-37) (Human) P90 N-term hydrophobic
glucagon-like peptide 1-(7-37) (Human) P90 N-term Van der Waals
glucagon-like peptide 1-(7-37) (Human) W91 N-term Van der Waals
glucagon-like peptide 1-(7-37) (Human) W91 N-term hydrophobic
glucagon-like peptide 1-(7-37) (Human) R121 N-term polar (charge-assisted hydrogen bond)
glucagon-like peptide 1-(7-37) (Human) L123 N-term hydrophobic
glucagon-like peptide 1-(7-37) (Human) L123 N-term Van der Waals
glucagon-like peptide 1-(7-37) (Human) S136 N-term Van der Waals
glucagon-like peptide 1-(7-37) (Human) E138 1.33x33 TM1 polar (charge-assisted hydrogen bond)
glucagon-like peptide 1-(7-37) (Human) L141 1.36x36 TM1 hydrophobic
glucagon-like peptide 1-(7-37) (Human) L141 1.36x36 TM1 Van der Waals
glucagon-like peptide 1-(7-37) (Human) L144 1.39x39 TM1 hydrophobic
glucagon-like peptide 1-(7-37) (Human) L144 1.39x39 TM1 Van der Waals
glucagon-like peptide 1-(7-37) (Human) Y148 1.43x43 TM1 Van der Waals
glucagon-like peptide 1-(7-37) (Human) Y148 1.43x43 TM1 hydrophobic
glucagon-like peptide 1-(7-37) (Human) Y152 1.47x47 TM1 polar (hydrogen bond)
glucagon-like peptide 1-(7-37) (Human) R190 2.60x60 TM2 polar (charge-assisted hydrogen bond)
glucagon-like peptide 1-(7-37) (Human) V194 2.64x64 TM2 Van der Waals
glucagon-like peptide 1-(7-37) (Human) K197 2.67x67 TM2 polar (charge-assisted hydrogen bond)
glucagon-like peptide 1-(7-37) (Human) L201 2.71x71 TM2 hydrophobic
glucagon-like peptide 1-(7-37) (Human) L201 2.71x71 TM2 Van der Waals
glucagon-like peptide 1-(7-37) (Human) Y205 2.75x75 TM2 polar (hydrogen bond)
glucagon-like peptide 1-(7-37) (Human) Y205 2.75x75 TM2 polar (hydrogen bond)
glucagon-like peptide 1-(7-37) (Human) Q210 ECL1 polar (hydrogen bond)
glucagon-like peptide 1-(7-37) (Human) Q210 ECL1 Van der Waals
glucagon-like peptide 1-(7-37) (Human) W214 ECL1 hydrophobic
glucagon-like peptide 1-(7-37) (Human) W214 ECL1 Van der Waals
glucagon-like peptide 1-(7-37) (Human) D215 ECL1 polar (charge-assisted hydrogen bond)
glucagon-like peptide 1-(7-37) (Human) F230 3.33x33 TM3 Van der Waals
glucagon-like peptide 1-(7-37) (Human) M233 3.36x36 TM3 Van der Waals
glucagon-like peptide 1-(7-37) (Human) M233 3.36x36 TM3 hydrophobic
glucagon-like peptide 1-(7-37) (Human) Q234 3.37x37 TM3 Van der Waals
glucagon-like peptide 1-(7-37) (Human) Q234 3.37x37 TM3 polar (hydrogen bond)
glucagon-like peptide 1-(7-37) (Human) V237 3.40x40 TM3 Van der Waals
glucagon-like peptide 1-(7-37) (Human) V237 3.40x40 TM3 hydrophobic
glucagon-like peptide 1-(7-37) (Human) T298 45.52x52 ECL2 polar (hydrogen bond with backbone)
glucagon-like peptide 1-(7-37) (Human) T298 45.52x52 ECL2 polar (hydrogen bond)
glucagon-like peptide 1-(7-37) (Human) R299 ECL2 polar (charge-assisted hydrogen bond)
glucagon-like peptide 1-(7-37) (Human) N300 ECL2 Van der Waals
glucagon-like peptide 1-(7-37) (Human) N300 ECL2 polar (hydrogen bond)
glucagon-like peptide 1-(7-37) (Human) N300 ECL2 polar (hydrogen bond with backbone)
glucagon-like peptide 1-(7-37) (Human) W306 5.36x37 TM5 aromatic (edge-to-face)
glucagon-like peptide 1-(7-37) (Human) W306 5.36x37 TM5 Van der Waals
glucagon-like peptide 1-(7-37) (Human) I309 5.39x39 TM5 Van der Waals
glucagon-like peptide 1-(7-37) (Human) I313 5.43x43 TM5 hydrophobic
Compound 2 C347 6.36x36 TM6 polar (hydrogen bond)
Compound 2 C347 6.36x36 TM6 polar (hydrogen bond)
Compound 2 A350 6.39x39 TM6 hydrophobic
glucagon-like peptide 1-(7-37) (Human) D372 ECL3 polar (charge-assisted hydrogen bond)
glucagon-like peptide 1-(7-37) (Human) R380 7.35x34 TM7 polar (charge-assisted hydrogen bond)
glucagon-like peptide 1-(7-37) (Human) L384 7.39x38 TM7 hydrophobic
glucagon-like peptide 1-(7-37) (Human) L384 7.39x38 TM7 Van der Waals
glucagon-like peptide 1-(7-37) (Human) E387 7.42x41 TM7 Van der Waals
glucagon-like peptide 1-(7-37) (Human) L388 7.43x42 TM7 Van der Waals
glucagon-like peptide 1-(7-37) (Human) L388 7.43x42 TM7 hydrophobic

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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
1x29 1.33x33 E138
1x32 1.36x36 L141
1x35 1.39x39 L144
1x39 1.43x43 Y148
1x43 1.47x47 Y152
TM2
2x53 2.60x60 R190
2x57 2.64x64 V194
2x60 2.67x67 K197
2x64 2.71x71 L201
2x68 2.75x75 Y205
TM3
3x29 3.33x33 F230
3x32 3.36x36 M233
3x33 3.37x37 Q234
3x36 3.40x40 V237
ECL2
45x52 45.52x52 T298
TM5
5x41 5.36x37 W306
5x43 5.39x39 I309
5x47 5.43x43 I313
TM6
6x31 6.36x36 C347
6x34 6.39x39 A350
TM7
7x30 7.35x34 R380
7x34 7.39x38 L384
7x37 7.42x41 E387
7x38 7.43x42 L388