PDB
25NX
Resolution
2.9 Å
Released
June 3, 2026
Receptor
PTH1
Class
B1
Species
Homo sapiens
Ligand
Peptide 2 (PTHrP analogue)
Function
Agonist
Reference
10.1021/JACS.6C02192

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Ligand Amino Acid Generic Number Segment Interaction Type
Peptide 2 (PTHrP analogue) V31 N-term Van der Waals
Peptide 2 (PTHrP analogue) V31 N-term polar (hydrogen bond with backbone)
Peptide 2 (PTHrP analogue) M32 N-term polar (hydrogen bond with backbone)
Peptide 2 (PTHrP analogue) M32 N-term Van der Waals
Peptide 2 (PTHrP analogue) T33 N-term polar (hydrogen bond)
Peptide 2 (PTHrP analogue) T33 N-term polar (hydrogen bond)
Peptide 2 (PTHrP analogue) K34 N-term Van der Waals
Peptide 2 (PTHrP analogue) Q37 N-term Van der Waals
Peptide 2 (PTHrP analogue) I38 N-term hydrophobic
Peptide 2 (PTHrP analogue) I38 N-term Van der Waals
Peptide 2 (PTHrP analogue) D113 N-term Van der Waals
Peptide 2 (PTHrP analogue) H114 N-term Van der Waals
Peptide 2 (PTHrP analogue) I115 N-term hydrophobic
Peptide 2 (PTHrP analogue) I115 N-term Van der Waals
Peptide 2 (PTHrP analogue) Y136 N-term Van der Waals
Peptide 2 (PTHrP analogue) F138 N-term hydrophobic
Peptide 2 (PTHrP analogue) Y167 N-term polar (hydrogen bond with backbone)
Peptide 2 (PTHrP analogue) Y167 N-term Van der Waals
Peptide 2 (PTHrP analogue) Y167 N-term polar (hydrogen bond)
Peptide 2 (PTHrP analogue) Y167 N-term aromatic (edge-to-face)
Peptide 2 (PTHrP analogue) V171 N-term hydrophobic
Peptide 2 (PTHrP analogue) L174 N-term Van der Waals
Peptide 2 (PTHrP analogue) T175 N-term Van der Waals
Peptide 2 (PTHrP analogue) T175 N-term polar (hydrogen bond with backbone)
Peptide 2 (PTHrP analogue) N176 N-term polar (hydrogen bond)
Peptide 2 (PTHrP analogue) E177 N-term polar (hydrogen bond with backbone)
Peptide 2 (PTHrP analogue) E177 N-term Van der Waals
Peptide 2 (PTHrP analogue) R181 1.33x33 TM1 polar (charge-assisted hydrogen bond)
Peptide 2 (PTHrP analogue) F184 1.36x36 TM1 hydrophobic
Peptide 2 (PTHrP analogue) F184 1.36x36 TM1 Van der Waals
Peptide 2 (PTHrP analogue) Y195 1.47x47 TM1 Van der Waals
Peptide 2 (PTHrP analogue) Y195 1.47x47 TM1 polar (hydrogen bond)
Peptide 2 (PTHrP analogue) R233 2.60x60 TM2 polar (charge-assisted hydrogen bond)
Peptide 2 (PTHrP analogue) I237 2.64x64 TM2 Van der Waals
Peptide 2 (PTHrP analogue) K240 2.67x67 TM2 Van der Waals
Peptide 2 (PTHrP analogue) Y245 2.72x72 TM2 Van der Waals
Peptide 2 (PTHrP analogue) Y245 2.72x72 TM2 hydrophobic
Peptide 2 (PTHrP analogue) F288 3.36x36 TM3 hydrophobic
Peptide 2 (PTHrP analogue) F288 3.36x36 TM3 Van der Waals
Peptide 2 (PTHrP analogue) L289 3.37x37 TM3 hydrophobic
Peptide 2 (PTHrP analogue) L289 3.37x37 TM3 Van der Waals
Peptide 2 (PTHrP analogue) D353 45.52x52 ECL2 polar (charge-assisted hydrogen bond)
Peptide 2 (PTHrP analogue) L354 ECL2 hydrophobic
Peptide 2 (PTHrP analogue) L354 ECL2 Van der Waals
Peptide 2 (PTHrP analogue) S355 ECL2 Van der Waals
Peptide 2 (PTHrP analogue) K360 5.36x37 TM5 Van der Waals
Peptide 2 (PTHrP analogue) Q364 5.40x40 TM5 polar (hydrogen bond)
Peptide 2 (PTHrP analogue) Q364 5.40x40 TM5 polar (hydrogen bond)
Peptide 2 (PTHrP analogue) I367 5.43x43 TM5 Van der Waals
Peptide 2 (PTHrP analogue) L368 5.44x44 TM5 hydrophobic
Peptide 2 (PTHrP analogue) L368 5.44x44 TM5 Van der Waals
Peptide 2 (PTHrP analogue) M425 6.57x57 TM6 Van der Waals
Peptide 2 (PTHrP analogue) M425 6.57x57 TM6 polar (hydrogen bond with backbone)
Peptide 2 (PTHrP analogue) T427 ECL3 polar (hydrogen bond with backbone)
Peptide 2 (PTHrP analogue) T427 ECL3 Van der Waals
Peptide 2 (PTHrP analogue) Y429 ECL3 polar (hydrogen bond)
Peptide 2 (PTHrP analogue) Y429 ECL3 Van der Waals
Peptide 2 (PTHrP analogue) T430 ECL3 Van der Waals
Peptide 2 (PTHrP analogue) W437 7.35x34 TM7 polar (hydrogen bond)
Peptide 2 (PTHrP analogue) W437 7.35x34 TM7 polar (hydrogen bond)
Peptide 2 (PTHrP analogue) Q440 7.38x37 TM7 Van der Waals
Peptide 2 (PTHrP analogue) M441 7.39x38 TM7 hydrophobic
Peptide 2 (PTHrP analogue) M441 7.39x38 TM7 Van der Waals
Peptide 2 (PTHrP analogue) E444 7.42x41 TM7 polar (charge-assisted hydrogen bond)
Peptide 2 (PTHrP analogue) M445 7.43x42 TM7 hydrophobic
Peptide 2 (PTHrP analogue) M445 7.43x42 TM7 Van der Waals
Peptide 2 (PTHrP analogue) N448 7.46x45 TM7 Van der Waals

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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
1x29 1.33x33 R181
1x32 1.36x36 F184
1x43 1.47x47 Y195
TM2
2x53 2.60x60 R233
2x57 2.64x64 I237
2x60 2.67x67 K240
2x65 2.72x72 Y245
TM3
3x32 3.36x36 F288
3x33 3.37x37 L289
ECL2
45x52 45.52x52 D353
TM5
5x41 5.36x37 K360
5x44 5.40x40 Q364
5x47 5.43x43 I367
5x48 5.44x44 L368
TM6
6x52 6.57x57 M425
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