PDB
8YW4
Resolution
3.3 Å
Released
Sept. 18, 2024
Receptor
GIP
Class
B1
Species
Homo sapiens
Ligand
Function
retatrutide
Agonist
Reference
10.1038/S41421-024-00700-0

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Ligand Amino Acid Generic Number Segment Interaction Type
retatrutide T31 N-term Van der Waals
retatrutide A32 N-term Van der Waals
retatrutide L35 N-term hydrophobic
retatrutide Y36 N-term aromatic (edge-to-face)
retatrutide W39 N-term hydrophobic
retatrutide F127 1.29x29 TM1 hydrophobic
retatrutide Q130 1.32x32 TM1 hydrophobic
retatrutide R131 1.33x33 TM1 hydrophobic
retatrutide L134 1.36x36 TM1 hydrophobic
retatrutide E135 1.37x37 TM1 Van der Waals
retatrutide L137 1.39x39 TM1 hydrophobic
retatrutide Q138 1.40x40 TM1 Van der Waals
retatrutide Y141 1.43x43 TM1 Van der Waals
retatrutide Y145 1.47x47 TM1 polar (hydrogen bond)
retatrutide I187 2.64x64 TM2 hydrophobic
retatrutide R190 2.67x67 TM2 Van der Waals
retatrutide R196 ECL1 polar (hydrogen bond)
retatrutide R196 ECL1 hydrophobic
retatrutide T223 3.36x36 TM3 Van der Waals
retatrutide Q224 3.37x37 TM3 polar (hydrogen bond)
retatrutide Q224 3.37x37 TM3 polar (hydrogen bond)
retatrutide V227 3.40x40 TM3 hydrophobic
retatrutide E288 45.52x52 ECL2 Van der Waals
retatrutide R289 ECL2 polar (hydrogen bond)
retatrutide R289 ECL2 polar (charge-charge)
retatrutide N290 ECL2 polar (hydrogen bond with backbone)
retatrutide W296 5.36x37 TM5 hydrophobic
retatrutide I299 5.39x39 TM5 Van der Waals
retatrutide R300 5.40x40 TM5 Van der Waals
retatrutide E354 6.53x53 TM6 polar (charge-charge)
retatrutide R370 7.35x34 TM7 polar (charge-charge)
retatrutide L374 7.39x38 TM7 hydrophobic
retatrutide E377 7.42x41 TM7 hydrophobic
retatrutide I378 7.43x42 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(B)
GIP receptor
TM1
1x25 1.29x29 F127
1x28 1.32x32 Q130
1x29 1.33x33 R131
1x32 1.36x36 L134
1x33 1.37x37 E135
1x35 1.39x39 L137
1x36 1.40x40 Q138
1x39 1.43x43 Y141
1x43 1.47x47 Y145
TM2
2x57 2.64x64 I187
2x60 2.67x67 R190
TM3
3x32 3.36x36 T223
3x33 3.37x37 Q224
3x36 3.40x40 V227
ECL2
45x52 45.52x52 E288
TM5
5x41 5.36x37 W296
5x43 5.39x39 I299
5x44 5.40x40 R300
TM6
6x48 6.53x53 E354
TM7
7x30 7.35x34 R370
7x34 7.39x38 L374
7x37 7.42x41 E377
7x38 7.43x42 I378