PDB
7F16
Resolution
2.8 Å
Released
Aug. 18, 2021
Receptor
PTH2
Class
B1
Species
Homo sapiens
Ligand
Function
Tuberoinfundibular peptide of 39 residues
Agonist
Reference
10.1073/PNAS.2101279118

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Ligand Amino Acid Generic Number Segment Interaction Type
Tuberoinfundibular peptide of 39 residues T31 N-term Van der Waals
Tuberoinfundibular peptide of 39 residues I32 N-term Van der Waals
Tuberoinfundibular peptide of 39 residues I34 N-term hydrophobic
Tuberoinfundibular peptide of 39 residues I38 N-term hydrophobic
Tuberoinfundibular peptide of 39 residues D68 N-term Van der Waals
Tuberoinfundibular peptide of 39 residues L70 N-term hydrophobic
Tuberoinfundibular peptide of 39 residues I90 N-term hydrophobic
Tuberoinfundibular peptide of 39 residues Y91 N-term Van der Waals
Tuberoinfundibular peptide of 39 residues D92 N-term polar (hydrogen bond)
Tuberoinfundibular peptide of 39 residues D92 N-term polar (charge-charge)
Tuberoinfundibular peptide of 39 residues F93 N-term hydrophobic
Tuberoinfundibular peptide of 39 residues M112 N-term Van der Waals
Tuberoinfundibular peptide of 39 residues K117 N-term Van der Waals
Tuberoinfundibular peptide of 39 residues A120 N-term Van der Waals
Tuberoinfundibular peptide of 39 residues Y122 N-term hydrophobic
Tuberoinfundibular peptide of 39 residues L126 N-term hydrophobic
Tuberoinfundibular peptide of 39 residues Q130 1.25x25 TM1 polar (hydrogen bond)
Tuberoinfundibular peptide of 39 residues P131 1.26x26 TM1 Van der Waals
Tuberoinfundibular peptide of 39 residues S134 1.29x29 TM1 Van der Waals
Tuberoinfundibular peptide of 39 residues K137 1.32x32 TM1 hydrophobic
Tuberoinfundibular peptide of 39 residues K137 1.32x32 TM1 polar (charge-charge)
Tuberoinfundibular peptide of 39 residues Q138 1.33x33 TM1 Van der Waals
Tuberoinfundibular peptide of 39 residues F141 1.36x36 TM1 hydrophobic
Tuberoinfundibular peptide of 39 residues E142 1.37x37 TM1 polar (charge-charge)
Tuberoinfundibular peptide of 39 residues Y145 1.40x40 TM1 aromatic (pi-cation)
Tuberoinfundibular peptide of 39 residues Y152 1.47x47 TM1 polar (hydrogen bond)
Tuberoinfundibular peptide of 39 residues R190 2.60x60 TM2 polar (charge-charge)
Tuberoinfundibular peptide of 39 residues I194 2.64x64 TM2 Van der Waals
Tuberoinfundibular peptide of 39 residues K197 2.67x67 TM2 hydrophobic
Tuberoinfundibular peptide of 39 residues K197 2.67x67 TM2 polar (charge-charge)
Tuberoinfundibular peptide of 39 residues V201 2.71x71 TM2 hydrophobic
Tuberoinfundibular peptide of 39 residues I205 2.75x75 TM2 Van der Waals
Tuberoinfundibular peptide of 39 residues E209 ECL1 polar (charge-charge)
Tuberoinfundibular peptide of 39 residues V240 3.33x33 TM3 Van der Waals
Tuberoinfundibular peptide of 39 residues F243 3.36x36 TM3 hydrophobic
Tuberoinfundibular peptide of 39 residues F243 3.36x36 TM3 aromatic (edge-to-face)
Tuberoinfundibular peptide of 39 residues I244 3.37x37 TM3 Van der Waals
Tuberoinfundibular peptide of 39 residues L247 3.40x40 TM3 hydrophobic
Tuberoinfundibular peptide of 39 residues Y251 3.44x44 TM3 hydrophobic
Tuberoinfundibular peptide of 39 residues W294 4.60x60 TM4 Van der Waals
Tuberoinfundibular peptide of 39 residues R298 4.64x64 TM4 Van der Waals
Tuberoinfundibular peptide of 39 residues R305 ECL2 polar (charge-charge)
Tuberoinfundibular peptide of 39 residues W307 45.51x51 ECL2 polar (hydrogen bond with backbone)
Tuberoinfundibular peptide of 39 residues E308 45.52x52 ECL2 hydrophobic
Tuberoinfundibular peptide of 39 residues E308 45.52x52 ECL2 polar (hydrogen bond with backbone)
Tuberoinfundibular peptide of 39 residues L309 ECL2 Van der Waals
Tuberoinfundibular peptide of 39 residues S310 ECL2 Van der Waals
Tuberoinfundibular peptide of 39 residues K315 5.36x37 TM5 Van der Waals
Tuberoinfundibular peptide of 39 residues Y318 5.39x39 TM5 polar (hydrogen bond)
Tuberoinfundibular peptide of 39 residues Q319 5.40x40 TM5 polar (hydrogen bond)
Tuberoinfundibular peptide of 39 residues I322 5.43x43 TM5 hydrophobic
Tuberoinfundibular peptide of 39 residues L323 5.44x44 TM5 hydrophobic
Tuberoinfundibular peptide of 39 residues I326 5.47x47 TM5 Van der Waals
Tuberoinfundibular peptide of 39 residues V380 6.57x57 TM6 Van der Waals
Tuberoinfundibular peptide of 39 residues W391 7.35x34 TM7 hydrophobic
Tuberoinfundibular peptide of 39 residues M395 7.39x38 TM7 hydrophobic
Tuberoinfundibular peptide of 39 residues E398 7.42x41 TM7 hydrophobic
Tuberoinfundibular peptide of 39 residues L399 7.43x42 TM7 hydrophobic
Tuberoinfundibular peptide of 39 residues N402 7.46x45 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(B)
PTH2 receptor
TM1
1x21 1.25x25 Q130
1x22 1.26x26 P131
1x25 1.29x29 S134
1x28 1.32x32 K137
1x29 1.33x33 Q138
1x32 1.36x36 F141
1x33 1.37x37 E142
1x36 1.40x40 Y145
1x43 1.47x47 Y152
TM2
2x53 2.60x60 R190
2x57 2.64x64 I194
2x60 2.67x67 K197
2x64 2.71x71 V201
2x68 2.75x75 I205
TM3
3x29 3.33x33 V240
3x32 3.36x36 F243
3x33 3.37x37 I244
3x36 3.40x40 L247
3x40 3.44x44 Y251
TM4
4x60 4.60x60 W294
4x64 4.64x64 R298
ECL2
45x51 45.51x51 W307
45x52 45.52x52 E308
TM5
5x41 5.36x37 K315
5x43 5.39x39 Y318
5x44 5.40x40 Q319
5x47 5.43x43 I322
5x48 5.44x44 L323
5x51 5.47x47 I326
TM6
6x52 6.57x57 V380
TM7
7x30 7.35x34 W391
7x34 7.39x38 M395
7x37 7.42x41 E398
7x38 7.43x42 L399
7x41 7.46x45 N402