PDB
7S1M
Resolution
2.4 Å
Released
Jan. 5, 2022
Receptor
GLP-1
Class
B1
Species
Homo sapiens
Ligand
Ex4-D-Ala
Function
Agonist
Reference
10.1038/S41589-021-00945-W

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Ligand Amino Acid Generic Number Segment Interaction Type
Ex4-D-Ala L32 N-term polar (hydrogen bond with backbone)
Ex4-D-Ala L32 N-term Van der Waals
Ex4-D-Ala W39 N-term Van der Waals
Ex4-D-Ala W39 N-term hydrophobic
Ex4-D-Ala E68 N-term Van der Waals
Ex4-D-Ala Y69 N-term hydrophobic
Ex4-D-Ala Y69 N-term Van der Waals
Ex4-D-Ala Y88 N-term Van der Waals
Ex4-D-Ala L89 N-term hydrophobic
Ex4-D-Ala L89 N-term Van der Waals
Ex4-D-Ala P90 N-term hydrophobic
Ex4-D-Ala P90 N-term Van der Waals
Ex4-D-Ala W91 N-term Van der Waals
Ex4-D-Ala W91 N-term hydrophobic
Ex4-D-Ala E138 1.33x33 TM1 polar (charge-assisted hydrogen bond)
Ex4-D-Ala L141 1.36x36 TM1 Van der Waals
Ex4-D-Ala L141 1.36x36 TM1 hydrophobic
Ex4-D-Ala L144 1.39x39 TM1 hydrophobic
Ex4-D-Ala L144 1.39x39 TM1 Van der Waals
Ex4-D-Ala Y148 1.43x43 TM1 aromatic (edge-to-face)
Ex4-D-Ala Y148 1.43x43 TM1 Van der Waals
Ex4-D-Ala Y152 1.47x47 TM1 polar (hydrogen bond)
Ex4-D-Ala Y152 1.47x47 TM1 Van der Waals
Ex4-D-Ala R190 2.60x60 TM2 Van der Waals
Ex4-D-Ala K197 2.67x67 TM2 polar (charge-assisted hydrogen bond)
Ex4-D-Ala L201 2.71x71 TM2 Van der Waals
Ex4-D-Ala L201 2.71x71 TM2 hydrophobic
Ex4-D-Ala Y205 2.75x75 TM2 Van der Waals
Ex4-D-Ala Y205 2.75x75 TM2 polar (hydrogen bond)
Ex4-D-Ala W214 ECL1 hydrophobic
Ex4-D-Ala W214 ECL1 Van der Waals
Ex4-D-Ala F230 3.33x33 TM3 Van der Waals
Ex4-D-Ala M233 3.36x36 TM3 Van der Waals
Ex4-D-Ala Q234 3.37x37 TM3 polar (hydrogen bond)
Ex4-D-Ala V237 3.40x40 TM3 Van der Waals
Ex4-D-Ala V237 3.40x40 TM3 hydrophobic
Ex4-D-Ala Y241 3.44x44 TM3 hydrophobic
Ex4-D-Ala T298 45.52x52 ECL2 Van der Waals
Ex4-D-Ala T298 45.52x52 ECL2 polar (hydrogen bond)
Ex4-D-Ala R299 ECL2 polar (charge-assisted hydrogen bond)
Ex4-D-Ala N300 ECL2 polar (hydrogen bond with backbone)
Ex4-D-Ala N300 ECL2 Van der Waals
Ex4-D-Ala W306 5.36x37 TM5 aromatic (edge-to-face)
Ex4-D-Ala W306 5.36x37 TM5 Van der Waals
Ex4-D-Ala I313 5.43x43 TM5 Van der Waals
Ex4-D-Ala D372 ECL3 polar (charge-assisted hydrogen bond)
Ex4-D-Ala R380 7.35x34 TM7 polar (charge-assisted hydrogen bond)
Ex4-D-Ala L384 7.39x38 TM7 hydrophobic
Ex4-D-Ala L384 7.39x38 TM7 Van der Waals
Ex4-D-Ala E387 7.42x41 TM7 polar (charge-assisted hydrogen bond)
Ex4-D-Ala L388 7.43x42 TM7 hydrophobic
Ex4-D-Ala L388 7.43x42 TM7 Van der Waals

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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
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
3x40 3.44x44 Y241
ECL2
45x52 45.52x52 T298
TM5
5x41 5.36x37 W306
5x47 5.43x43 I313
TM7
7x30 7.35x34 R380
7x34 7.39x38 L384
7x37 7.42x41 E387
7x38 7.43x42 L388