Structure information

GIP receptor

PROTEIN CLASS

Class B1 (Secretin)

PDB CODE

7RBT

SPECIES

Homo sapiens

RESOLUTION

3.080

PREFERRED CHAIN

R

REFERENCE

10.1073/PNAS.2116506119

PUBLICATION DATE

April 13, 2022

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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
tirzepatide Q30 N-term polar (hydrogen bond with backbone)
tirzepatide Q30 N-term Van der Waals
tirzepatide T31 N-term Van der Waals
tirzepatide T31 N-term polar (hydrogen bond with backbone)
tirzepatide A32 N-term Van der Waals
tirzepatide A32 N-term polar (hydrogen bond with backbone)
tirzepatide L35 N-term Van der Waals
tirzepatide L35 N-term hydrophobic
tirzepatide Y36 N-term hydrophobic
tirzepatide W39 N-term Van der Waals
tirzepatide W39 N-term aromatic (face-to-edge)
tirzepatide M67 N-term Van der Waals
tirzepatide Y68 N-term hydrophobic
tirzepatide Y68 N-term Van der Waals
tirzepatide Y87 N-term hydrophobic
tirzepatide Y87 N-term Van der Waals
tirzepatide R113 N-term polar (charge-assisted hydrogen bond)
tirzepatide H115 N-term Van der Waals
tirzepatide F127 1.29x29 TM1 Van der Waals
tirzepatide F127 1.29x29 TM1 hydrophobic
tirzepatide L128 1.30x30 TM1 hydrophobic
tirzepatide L128 1.30x30 TM1 Van der Waals
tirzepatide R131 1.33x33 TM1 Van der Waals
tirzepatide L134 1.36x36 TM1 Van der Waals
tirzepatide L134 1.36x36 TM1 hydrophobic
tirzepatide E135 1.37x37 TM1 Van der Waals
tirzepatide L137 1.39x39 TM1 Van der Waals
tirzepatide L137 1.39x39 TM1 hydrophobic
tirzepatide Q138 1.40x40 TM1 Van der Waals
tirzepatide Y141 1.43x43 TM1 Van der Waals
tirzepatide Y141 1.43x43 TM1 aromatic (edge-to-face)
tirzepatide Y145 1.47x47 TM1 Van der Waals
tirzepatide Y145 1.47x47 TM1 polar (hydrogen bond)
tirzepatide R183 2.60x60 TM2 polar (charge-assisted hydrogen bond)
tirzepatide I187 2.64x64 TM2 hydrophobic
tirzepatide I187 2.64x64 TM2 Van der Waals
tirzepatide R190 2.67x67 TM2 Van der Waals
tirzepatide D191 2.68x68 TM2 polar (charge-assisted hydrogen bond)
tirzepatide Y200 ECL1 Van der Waals
tirzepatide Y200 ECL1 polar (hydrogen bond)
tirzepatide L201 ECL1 hydrophobic
tirzepatide L201 ECL1 Van der Waals
tirzepatide V227 3.40x40 TM3 hydrophobic
tirzepatide V227 3.40x40 TM3 Van der Waals
tirzepatide Y231 3.44x44 TM3 Van der Waals
tirzepatide E288 45.52x52 ECL2 polar (hydrogen bond with backbone)
tirzepatide E288 45.52x52 ECL2 Van der Waals
tirzepatide R289 ECL2 polar (charge-assisted hydrogen bond)
tirzepatide R289 ECL2 polar (hydrogen bond with backbone)
tirzepatide N290 ECL2 polar (hydrogen bond)
tirzepatide N290 ECL2 Van der Waals
tirzepatide W296 5.36x37 TM5 hydrophobic
tirzepatide W296 5.36x37 TM5 Van der Waals
tirzepatide R300 5.40x40 TM5 Van der Waals
tirzepatide I303 5.43x43 TM5 Van der Waals
2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol F311 5.51x51 TM5 hydrophobic
2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol V347 6.46x46 TM6 hydrophobic
2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol P348 6.47x47 TM6 hydrophobic
2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol H353 6.52x52 TM6 aromatic (face-to-edge)
2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol H353 6.52x52 TM6 Van der Waals
2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol H353 6.52x52 TM6 polar (hydrogen bond)
2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol V356 6.55x55 TM6 Van der Waals
2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol V356 6.55x55 TM6 hydrophobic
tirzepatide R370 7.35x34 TM7 polar (charge-assisted hydrogen bond)
tirzepatide L374 7.39x38 TM7 hydrophobic
tirzepatide L374 7.39x38 TM7 Van der Waals
tirzepatide I378 7.43x42 TM7 hydrophobic
tirzepatide I378 7.43x42 TM7 Van der Waals
2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol L380 7.45x44 TM7 polar (hydrogen bond with backbone)
2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol L380 7.45x44 TM7 Van der Waals
tirzepatide S381 7.46x45 TM7 polar (hydrogen bond)
tirzepatide S381 7.46x45 TM7 Van der Waals
2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol F383 7.48x47 TM7 Van der Waals
2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol Q384 7.49x49 TM7 Van der Waals
2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol Q384 7.49x49 TM7 polar (hydrogen bond with backbone)
2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol L387 7.52x52 TM7 Van der Waals
2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol L387 7.52x52 TM7 hydrophobic

Ligands

tirzepatide

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2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol

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Residue Diagrams

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
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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
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Residue Table


GPCRdb(A)
GPCRdb(B)
GIP receptor
TM1
1x25 1.29x29 F127
1x26 1.30x30 L128
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
2x53 2.60x60 R183
2x57 2.64x64 I187
2x60 2.67x67 R190
2x61 2.68x68 D191
TM3
3x36 3.40x40 V227
3x40 3.44x44 Y231
ECL2
45x52 45.52x52 E288
TM5
5x41 5.36x37 W296
5x44 5.40x40 R300
5x47 5.43x43 I303
5x55 5.51x51 F311
TM6
6x41 6.46x46 V347
6x42 6.47x47 P348
6x47 6.52x52 H353
6x50 6.55x55 V356
TM7
7x30 7.35x34 R370
7x34 7.39x38 L374
7x38 7.43x42 I378
7x40 7.45x44 L380
7x41 7.46x45 S381
7x43 7.48x47 F383
7x45 7.49x49 Q384
7x48 7.52x52 L387