PDB
6FJ3
Resolution
2.5 Å
Released
Nov. 21, 2018
Receptor
PTH1
Class
B1
Species
Homo sapiens
Ligand
Function
ePTH
Agonist (partial)
Reference
10.1038/S41594-018-0151-4

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Ligand Amino Acid Generic Number Segment Interaction Type
ePTH M32 N-term polar (hydrogen bond with backbone)
ePTH T33 N-term Van der Waals
ePTH K34 N-term hydrophobic
ePTH K34 N-term polar (charge-charge)
ePTH Q37 N-term hydrophobic
ePTH I38 N-term Van der Waals
ePTH L41 N-term hydrophobic
ePTH E111 N-term polar (hydrogen bond)
ePTH W112 N-term Van der Waals
ePTH D113 N-term hydrophobic
ePTH H114 N-term Van der Waals
ePTH I115 N-term hydrophobic
ePTH I135 N-term hydrophobic
ePTH Y136 N-term Van der Waals
ePTH D137 N-term hydrophobic
ePTH D137 N-term polar (charge-charge)
ePTH D137 N-term polar (hydrogen bond)
ePTH F138 N-term hydrophobic
ePTH R146 N-term Van der Waals
ePTH R162 N-term Van der Waals
ePTH T163 N-term polar (hydrogen bond with backbone)
ePTH Y167 N-term hydrophobic
ePTH V171 N-term Van der Waals
ePTH L174 N-term hydrophobic
ePTH L174 N-term polar (hydrogen bond with backbone)
ePTH E177 N-term polar (charge-charge)
ePTH T178 N-term hydrophobic
ePTH E180 1.32x32 TM1 Van der Waals
ePTH R181 1.33x33 TM1 hydrophobic
ePTH F184 1.36x36 TM1 hydrophobic
ePTH F184 1.36x36 TM1 aromatic (edge-to-face)
ePTH L187 1.39x39 TM1 hydrophobic
ePTH G188 1.40x40 TM1 Van der Waals
ePTH Y195 1.47x47 TM1 polar (hydrogen bond)
ePTH R233 2.60x60 TM2 polar (charge-charge)
ePTH I237 2.64x64 TM2 Van der Waals
ePTH M240 2.67x67 TM2 Van der Waals
ePTH D241 2.68x68 TM2 hydrophobic
ePTH L244 2.71x71 TM2 hydrophobic
ePTH Y245 2.72x72 TM2 Van der Waals
ePTH F288 3.36x36 TM3 hydrophobic
ePTH L289 3.37x37 TM3 Van der Waals
ePTH L292 3.40x40 TM3 hydrophobic
ePTH W352 45.51x51 ECL2 hydrophobic
ePTH D353 45.52x52 ECL2 Van der Waals
ePTH L354 ECL2 hydrophobic
ePTH Q364 5.40x40 TM5 hydrophobic
ePTH Y429 ECL3 hydrophobic
ePTH M441 7.39x38 TM7 hydrophobic
ePTH E444 7.42x41 TM7 hydrophobic
ePTH E444 7.42x41 TM7 polar (hydrogen bond)
ePTH M445 7.43x42 TM7 hydrophobic
ePTH N448 7.46x45 TM7 polar (hydrogen bond)

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

GPCRdb(A)
GPCRdb(B)
PTH1 receptor
TM1
1x28 1.32x32 E180
1x29 1.33x33 R181
1x32 1.36x36 F184
1x35 1.39x39 L187
1x36 1.40x40 G188
1x43 1.47x47 Y195
TM2
2x53 2.60x60 R233
2x57 2.64x64 I237
2x60 2.67x67 K240
2x61 2.68x68 D241
2x64 2.71x71 L244
2x65 2.72x72 Y245
TM3
3x32 3.36x36 F288
3x33 3.37x37 L289
3x36 3.40x40 L292
ECL2
45x51 45.51x51 W352
45x52 45.52x52 D353
TM5
5x44 5.40x40 Q364
TM7
7x34 7.39x38 M441
7x37 7.42x41 E444
7x38 7.43x42 M445
7x41 7.46x45 N448