Structure information

GLP-1 receptor

PROTEIN CLASS

Class B1 (Secretin)

PDB CODE

7KI0

SPECIES

Homo sapiens

RESOLUTION

2.500

PREFERRED CHAIN

R

REFERENCE

10.1016/J.CELREP.2021.109374

PUBLICATION DATE

Aug. 4, 2021

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
semaglutide V30 N-term polar (hydrogen bond with backbone)
semaglutide V30 N-term Van der Waals
semaglutide S31 N-term Van der Waals
semaglutide S31 N-term polar (hydrogen bond)
semaglutide L32 N-term Van der Waals
semaglutide L32 N-term hydrophobic
semaglutide T35 N-term Van der Waals
semaglutide V36 N-term Van der Waals
semaglutide V36 N-term hydrophobic
semaglutide W39 N-term aromatic (face-to-edge)
semaglutide W39 N-term Van der Waals
semaglutide E68 N-term polar (charge-assisted hydrogen bond)
semaglutide Y69 N-term hydrophobic
semaglutide Y69 N-term Van der Waals
semaglutide Y88 N-term Van der Waals
semaglutide Y88 N-term hydrophobic
semaglutide L89 N-term hydrophobic
semaglutide L89 N-term Van der Waals
semaglutide P90 N-term Van der Waals
semaglutide P90 N-term hydrophobic
semaglutide W91 N-term Van der Waals
semaglutide W91 N-term hydrophobic
semaglutide R121 N-term polar (charge-assisted hydrogen bond)
semaglutide L123 N-term hydrophobic
semaglutide L123 N-term Van der Waals
semaglutide P137 N-term Van der Waals
semaglutide P137 N-term hydrophobic
semaglutide E138 1.33x33 TM1 polar (charge-assisted hydrogen bond)
semaglutide L141 1.36x36 TM1 hydrophobic
semaglutide L141 1.36x36 TM1 Van der Waals
semaglutide L144 1.39x39 TM1 Van der Waals
semaglutide L144 1.39x39 TM1 hydrophobic
semaglutide Y148 1.43x43 TM1 Van der Waals
semaglutide Y148 1.43x43 TM1 aromatic (edge-to-face)
semaglutide Y152 1.47x47 TM1 Van der Waals
semaglutide Y152 1.47x47 TM1 polar (hydrogen bond)
semaglutide R190 2.60x60 TM2 polar (charge-assisted hydrogen bond)
semaglutide K197 2.67x67 TM2 polar (charge-assisted hydrogen bond)
semaglutide L201 2.71x71 TM2 Van der Waals
semaglutide L201 2.71x71 TM2 hydrophobic
semaglutide Y205 2.75x75 TM2 polar (hydrogen bond)
semaglutide Y205 2.75x75 TM2 Van der Waals
semaglutide Q210 ECL1 Van der Waals
semaglutide W214 ECL1 hydrophobic
semaglutide W214 ECL1 Van der Waals
semaglutide M233 3.36x36 TM3 Van der Waals
semaglutide Q234 3.37x37 TM3 polar (hydrogen bond)
semaglutide V237 3.40x40 TM3 Van der Waals
semaglutide V237 3.40x40 TM3 hydrophobic
semaglutide Y241 3.44x44 TM3 polar (hydrogen bond)
semaglutide T298 45.52x52 ECL2 polar (hydrogen bond)
semaglutide T298 45.52x52 ECL2 Van der Waals
semaglutide R299 ECL2 polar (charge-assisted hydrogen bond)
semaglutide N300 ECL2 polar (hydrogen bond with backbone)
semaglutide N300 ECL2 Van der Waals
semaglutide W306 5.36x37 TM5 aromatic (edge-to-face)
semaglutide W306 5.36x37 TM5 Van der Waals
semaglutide I309 5.39x39 TM5 Van der Waals
semaglutide R310 5.40x40 TM5 Van der Waals
semaglutide I313 5.43x43 TM5 hydrophobic
semaglutide I313 5.43x43 TM5 Van der Waals
semaglutide L314 5.44x44 TM5 Van der Waals
semaglutide D372 ECL3 polar (charge-assisted hydrogen bond)
semaglutide R380 7.35x34 TM7 polar (charge-assisted hydrogen bond)
semaglutide L384 7.39x38 TM7 hydrophobic
semaglutide L384 7.39x38 TM7 Van der Waals
semaglutide E387 7.42x41 TM7 Van der Waals
semaglutide L388 7.43x42 TM7 Van der Waals
semaglutide L388 7.43x42 TM7 hydrophobic
semaglutide T391 7.46x45 TM7 Van der Waals

Ligands

semaglutide

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Residue Diagrams

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
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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
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Residue Table


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
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
5x43 5.39x39 I309
5x44 5.40x40 R310
5x47 5.43x43 I313
5x48 5.44x44 L314
TM7
7x30 7.35x34 R380
7x34 7.39x38 L384
7x37 7.42x41 E387
7x38 7.43x42 L388
7x41 7.46x45 T391