PDB
8HAF
Resolution
3.3 Å
Released
Dec. 21, 2022
Receptor
PTH1
Class
B1
Species
Homo sapiens
Ligand
Function
PTHrP-(1-36) (Human)
Agonist
Reference
10.1038/S41401-022-01032-Z

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Ligand Amino Acid Generic Number Segment Interaction Type
PTHrP-(1-36) (Human) V31 N-term hydrophobic
PTHrP-(1-36) (Human) M32 N-term polar (hydrogen bond with backbone)
PTHrP-(1-36) (Human) T33 N-term polar (hydrogen bond)
PTHrP-(1-36) (Human) K34 N-term Van der Waals
PTHrP-(1-36) (Human) E35 N-term polar (charge-charge)
PTHrP-(1-36) (Human) E35 N-term polar (hydrogen bond)
PTHrP-(1-36) (Human) L41 N-term hydrophobic
PTHrP-(1-36) (Human) W112 N-term Van der Waals
PTHrP-(1-36) (Human) D113 N-term Van der Waals
PTHrP-(1-36) (Human) H114 N-term Van der Waals
PTHrP-(1-36) (Human) I135 N-term hydrophobic
PTHrP-(1-36) (Human) Y136 N-term Van der Waals
PTHrP-(1-36) (Human) D137 N-term Van der Waals
PTHrP-(1-36) (Human) E155 N-term Van der Waals
PTHrP-(1-36) (Human) L156 N-term Van der Waals
PTHrP-(1-36) (Human) N161 N-term hydrophobic
PTHrP-(1-36) (Human) W164 N-term hydrophobic
PTHrP-(1-36) (Human) A165 N-term Van der Waals
PTHrP-(1-36) (Human) N166 N-term Van der Waals
PTHrP-(1-36) (Human) Y167 N-term hydrophobic
PTHrP-(1-36) (Human) Y167 N-term aromatic (edge-to-face)
PTHrP-(1-36) (Human) S168 N-term polar (hydrogen bond)
PTHrP-(1-36) (Human) S168 N-term polar (hydrogen bond with backbone)
PTHrP-(1-36) (Human) F173 N-term Van der Waals
PTHrP-(1-36) (Human) E180 1.32x32 TM1 polar (hydrogen bond)
PTHrP-(1-36) (Human) R181 1.33x33 TM1 Van der Waals
PTHrP-(1-36) (Human) F184 1.36x36 TM1 hydrophobic
PTHrP-(1-36) (Human) L187 1.39x39 TM1 hydrophobic
PTHrP-(1-36) (Human) Y195 1.47x47 TM1 polar (hydrogen bond)
PTHrP-(1-36) (Human) R233 2.60x60 TM2 polar (charge-charge)
PTHrP-(1-36) (Human) R233 2.60x60 TM2 polar (hydrogen bond)
PTHrP-(1-36) (Human) I237 2.64x64 TM2 Van der Waals
PTHrP-(1-36) (Human) K240 2.67x67 TM2 hydrophobic
PTHrP-(1-36) (Human) Y245 ECL1 hydrophobic
PTHrP-(1-36) (Human) Y245 ECL1 aromatic (pi-cation)
PTHrP-(1-36) (Human) V285 3.33x33 TM3 Van der Waals
PTHrP-(1-36) (Human) F288 3.36x36 TM3 Van der Waals
PTHrP-(1-36) (Human) L289 3.37x37 TM3 Van der Waals
PTHrP-(1-36) (Human) L292 3.40x40 TM3 hydrophobic
PTHrP-(1-36) (Human) Y296 3.44x44 TM3 Van der Waals
PTHrP-(1-36) (Human) D353 45.52x52 ECL2 polar (hydrogen bond with backbone)
PTHrP-(1-36) (Human) L354 ECL2 Van der Waals
PTHrP-(1-36) (Human) S355 ECL2 Van der Waals
PTHrP-(1-36) (Human) K360 5.36x37 TM5 Van der Waals
PTHrP-(1-36) (Human) Q364 5.40x40 TM5 polar (hydrogen bond)
PTHrP-(1-36) (Human) Q364 5.40x40 TM5 hydrophobic
PTHrP-(1-36) (Human) Q364 5.40x40 TM5 polar (hydrogen bond)
PTHrP-(1-36) (Human) I367 5.43x43 TM5 hydrophobic
PTHrP-(1-36) (Human) L368 5.44x44 TM5 hydrophobic
PTHrP-(1-36) (Human) F424 6.56x56 TM6 Van der Waals
PTHrP-(1-36) (Human) M425 ECL3 Van der Waals
PTHrP-(1-36) (Human) T427 ECL3 Van der Waals
PTHrP-(1-36) (Human) Y429 ECL3 hydrophobic
PTHrP-(1-36) (Human) T430 ECL3 Van der Waals
PTHrP-(1-36) (Human) V432 ECL3 Van der Waals
PTHrP-(1-36) (Human) W437 7.35x34 TM7 polar (hydrogen bond)
PTHrP-(1-36) (Human) M441 7.39x38 TM7 hydrophobic
PTHrP-(1-36) (Human) E444 7.42x41 TM7 Van der Waals
PTHrP-(1-36) (Human) M445 7.43x42 TM7 hydrophobic

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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
1x28 1.32x32 E180
1x29 1.33x33 R181
1x32 1.36x36 F184
1x35 1.39x39 L187
1x43 1.47x47 Y195
TM2
2x53 2.60x60 R233
2x57 2.64x64 I237
2x60 2.67x67 K240
TM3
3x29 3.33x33 V285
3x32 3.36x36 F288
3x33 3.37x37 L289
3x36 3.40x40 L292
3x40 3.44x44 Y296
ECL2
45x52 45.52x52 D353
TM5
5x41 5.36x37 K360
5x44 5.40x40 Q364
5x47 5.43x43 I367
5x48 5.44x44 L368
TM6
6x51 6.56x56 F424
TM7
7x30 7.35x34 W437
7x34 7.39x38 M441
7x37 7.42x41 E444
7x38 7.43x42 M445