PDB
7VAB
Resolution
3.2 Å
Released
March 2, 2022
Receptor
GIP
Class
B1
Species
Homo sapiens
Ligand
Non-acylated tirzepatide
Function
Agonist
Reference
10.1038/S41467-022-28683-0

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Ligand Amino Acid Generic Number Segment Interaction Type
Non-acylated tirzepatide Q30 Van der Waals
Non-acylated tirzepatide Q30 polar (hydrogen bond with backbone)
Non-acylated tirzepatide T31 Van der Waals
Non-acylated tirzepatide L35 hydrophobic
Non-acylated tirzepatide L35 Van der Waals
Non-acylated tirzepatide W39 Van der Waals
Non-acylated tirzepatide W39 aromatic (face-to-edge)
Non-acylated tirzepatide F127 1.29x29 TM1 Van der Waals
Non-acylated tirzepatide F127 1.29x29 TM1 hydrophobic
Non-acylated tirzepatide R131 1.33x33 TM1 Van der Waals
Non-acylated tirzepatide L134 1.36x36 TM1 Van der Waals
Non-acylated tirzepatide L134 1.36x36 TM1 hydrophobic
Non-acylated tirzepatide L137 1.39x39 TM1 hydrophobic
Non-acylated tirzepatide L137 1.39x39 TM1 Van der Waals
Non-acylated tirzepatide Q138 1.40x40 TM1 Van der Waals
Non-acylated tirzepatide Y141 1.43x43 TM1 Van der Waals
Non-acylated tirzepatide Y141 1.43x43 TM1 aromatic (edge-to-face)
Non-acylated tirzepatide Y145 1.47x47 TM1 polar (hydrogen bond)
Non-acylated tirzepatide R190 2.67x67 TM2 polar (charge-assisted hydrogen bond)
Non-acylated tirzepatide P197 ECL1 hydrophobic
Non-acylated tirzepatide P197 ECL1 Van der Waals
Non-acylated tirzepatide Q224 3.37x37 TM3 polar (hydrogen bond)
Non-acylated tirzepatide Q224 3.37x37 TM3 Van der Waals
Non-acylated tirzepatide V227 3.40x40 TM3 Van der Waals
Non-acylated tirzepatide V227 3.40x40 TM3 hydrophobic
Non-acylated tirzepatide E288 45.52x52 ECL2 polar (charge-assisted hydrogen bond)
Non-acylated tirzepatide R289 ECL2 polar (charge-assisted hydrogen bond)
Non-acylated tirzepatide N290 ECL2 Van der Waals
Non-acylated tirzepatide N290 ECL2 polar (hydrogen bond with backbone)
Non-acylated tirzepatide W296 5.36x37 TM5 Van der Waals
Non-acylated tirzepatide W296 5.36x37 TM5 hydrophobic
Non-acylated tirzepatide I303 5.43x43 TM5 hydrophobic
Non-acylated tirzepatide E354 6.53x53 TM6 polar (charge-assisted hydrogen bond)
Non-acylated tirzepatide L374 7.39x38 TM7 Van der Waals
Non-acylated tirzepatide L374 7.39x38 TM7 hydrophobic
Non-acylated tirzepatide E377 7.42x41 TM7 Van der Waals
Non-acylated tirzepatide I378 7.43x42 TM7 Van der Waals
Non-acylated tirzepatide 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
1x29 1.33x33 R131
1x32 1.36x36 L134
1x35 1.39x39 L137
1x36 1.40x40 Q138
1x39 1.43x43 Y141
1x43 1.47x47 Y145
TM2
2x60 2.67x67 R190
TM3
3x33 3.37x37 Q224
3x36 3.40x40 V227
ECL2
45x52 45.52x52 E288
TM5
5x41 5.36x37 W296
5x47 5.43x43 I303
TM6
6x48 6.53x53 E354
TM7
7x34 7.39x38 L374
7x37 7.42x41 E377
7x38 7.43x42 I378