PDB
8HA0
Resolution
2.6 Å
Released
Dec. 21, 2022
Receptor
PTH1
Class
B1
Species
Homo sapiens
Ligand
PTH
Function
Agonist
Reference
10.1038/S41401-022-01032-Z

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Ligand Amino Acid Generic Number Segment Interaction Type
PTH V31 N-term Van der Waals
PTH V31 N-term polar (hydrogen bond with backbone)
PTH M32 N-term Van der Waals
PTH M32 N-term polar (hydrogen bond with backbone)
PTH T33 N-term Van der Waals
PTH K34 N-term polar (hydrogen bond with backbone)
PTH K34 N-term Van der Waals
PTH E35 N-term polar (charge-assisted hydrogen bond)
PTH Q37 N-term Van der Waals
PTH I38 N-term Van der Waals
PTH I38 N-term hydrophobic
PTH D113 N-term polar (charge-assisted hydrogen bond)
PTH H114 N-term polar (hydrogen bond)
PTH H114 N-term Van der Waals
PTH I135 N-term Van der Waals
PTH Y136 N-term Van der Waals
PTH Y136 N-term hydrophobic
PTH D137 N-term polar (charge-assisted hydrogen bond)
PTH F138 N-term Van der Waals
PTH F138 N-term hydrophobic
PTH Y167 N-term Van der Waals
PTH V171 N-term Van der Waals
PTH V171 N-term hydrophobic
PTH E177 1.29x29 TM1 Van der Waals
PTH E180 1.32x32 TM1 polar (charge-assisted hydrogen bond)
PTH R181 1.33x33 TM1 Van der Waals
PTH F184 1.36x36 TM1 hydrophobic
PTH F184 1.36x36 TM1 Van der Waals
PTH Y191 1.43x43 TM1 Van der Waals
PTH Y195 1.47x47 TM1 polar (hydrogen bond)
PTH Y195 1.47x47 TM1 Van der Waals
PTH R233 2.60x60 TM2 polar (charge-assisted hydrogen bond)
PTH Y245 2.72x72 TM2 hydrophobic
PTH Y245 2.72x72 TM2 Van der Waals
PTH F288 3.36x36 TM3 hydrophobic
PTH F288 3.36x36 TM3 Van der Waals
PTH L289 3.37x37 TM3 hydrophobic
PTH L289 3.37x37 TM3 Van der Waals
PTH L292 3.40x40 TM3 hydrophobic
PTH L292 3.40x40 TM3 Van der Waals
PTH D353 45.52x52 ECL2 Van der Waals
PTH L354 ECL2 hydrophobic
PTH L354 ECL2 Van der Waals
PTH S355 ECL2 Van der Waals
PTH Q364 5.40x40 TM5 Van der Waals
PTH I367 5.43x43 TM5 hydrophobic
PTH F424 ECL3 polar (hydrogen bond with backbone)
PTH F424 ECL3 Van der Waals
PTH M425 ECL3 Van der Waals
PTH M425 ECL3 polar (hydrogen bond with backbone)
PTH T427 ECL3 Van der Waals
PTH T427 ECL3 polar (hydrogen bond with backbone)
PTH Y429 ECL3 Van der Waals
PTH Y429 ECL3 hydrophobic
PTH W437 7.35x34 TM7 Van der Waals
PTH W437 7.35x34 TM7 polar (hydrogen bond)
PTH Q440 7.38x37 TM7 polar (hydrogen bond)
PTH Q440 7.38x37 TM7 Van der Waals
PTH M441 7.39x38 TM7 hydrophobic
PTH M441 7.39x38 TM7 Van der Waals
PTH E444 7.42x41 TM7 Van der Waals
PTH M445 7.43x42 TM7 Van der Waals
PTH M445 7.43x42 TM7 hydrophobic
PTH N448 7.46x45 TM7 Van der Waals

PTH

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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
1x25 1.29x29 E177
1x28 1.32x32 E180
1x29 1.33x33 R181
1x32 1.36x36 F184
1x39 1.43x43 Y191
1x43 1.47x47 Y195
TM2
2x53 2.60x60 R233
2x65 2.72x72 Y245
TM3
3x32 3.36x36 F288
3x33 3.37x37 L289
3x36 3.40x40 L292
ECL2
45x52 45.52x52 D353
TM5
5x44 5.40x40 Q364
5x47 5.43x43 I367
TM7
7x30 7.35x34 W437
7x33 7.38x37 Q440
7x34 7.39x38 M441
7x37 7.42x41 E444
7x38 7.43x42 M445
7x41 7.46x45 N448