PDB
7RGP
Resolution
2.9 Å
Released
April 13, 2022
Receptor
GLP-1
Class
B1
Species
Homo sapiens
Ligand
Function
tirzepatide
Agonist
Reference
10.1073/PNAS.2116506119

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Ligand Amino Acid Generic Number Segment Interaction Type
tirzepatide V30 N-term polar (hydrogen bond with backbone)
tirzepatide S31 N-term Van der Waals
tirzepatide L32 N-term hydrophobic
tirzepatide T35 N-term Van der Waals
tirzepatide W39 N-term aromatic (edge-to-face)
tirzepatide W39 N-term hydrophobic
tirzepatide E68 N-term Van der Waals
tirzepatide Y69 N-term polar (hydrogen bond)
tirzepatide P90 N-term Van der Waals
tirzepatide W91 N-term Van der Waals
tirzepatide L123 N-term hydrophobic
tirzepatide P137 N-term Van der Waals
tirzepatide L141 1.36x36 TM1 hydrophobic
tirzepatide L144 1.39x39 TM1 hydrophobic
tirzepatide Y148 1.43x43 TM1 polar (hydrogen bond)
tirzepatide Y148 1.43x43 TM1 hydrophobic
tirzepatide Y152 1.47x47 TM1 polar (hydrogen bond)
tirzepatide R190 2.60x60 TM2 polar (hydrogen bond)
tirzepatide R190 2.60x60 TM2 polar (charge-charge)
tirzepatide V194 2.64x64 TM2 Van der Waals
tirzepatide K197 2.67x67 TM2 hydrophobic
tirzepatide K197 2.67x67 TM2 polar (hydrogen bond)
tirzepatide L201 2.71x71 TM2 hydrophobic
tirzepatide Y205 2.75x75 TM2 hydrophobic
tirzepatide A209 ECL1 hydrophobic
tirzepatide H212 ECL1 aromatic (face-to-face)
tirzepatide H212 ECL1 hydrophobic
tirzepatide W214 ECL1 aromatic (edge-to-face)
tirzepatide W214 ECL1 hydrophobic
tirzepatide M233 3.36x36 TM3 Van der Waals
tirzepatide Q234 3.37x37 TM3 polar (hydrogen bond)
tirzepatide V237 3.40x40 TM3 hydrophobic
tirzepatide T298 45.52x52 ECL2 Van der Waals
tirzepatide N300 ECL2 polar (hydrogen bond)
tirzepatide W306 5.36x37 TM5 hydrophobic
tirzepatide I309 5.39x39 TM5 hydrophobic
tirzepatide D372 ECL3 Van der Waals
tirzepatide R380 7.35x34 TM7 polar (hydrogen bond)
tirzepatide R380 7.35x34 TM7 polar (charge-charge)
tirzepatide L384 7.39x38 TM7 hydrophobic
tirzepatide E387 7.42x41 TM7 Van der Waals
tirzepatide L388 7.43x42 TM7 hydrophobic
tirzepatide T391 7.46x45 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
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
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
TM7
7x30 7.35x34 R380
7x34 7.39x38 L384
7x37 7.42x41 E387
7x38 7.43x42 L388
7x41 7.46x45 T391