PDB
6E3Y
Resolution
3.3 Å
Released
Sept. 19, 2018
Receptor
calcitonin-like
Class
B1
Species
Homo sapiens
Ligand
Function
calcitonin gene-related peptide 1
Agonist
Reference
10.1038/S41586-018-0535-Y

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Ligand Amino Acid Generic Number Segment Interaction Type
calcitonin gene-related peptide 1 D70 N-term Van der Waals
calcitonin gene-related peptide 1 G71 N-term Van der Waals
calcitonin gene-related peptide 1 W72 N-term hydrophobic
calcitonin gene-related peptide 1 D90 N-term polar (charge-charge)
calcitonin gene-related peptide 1 D90 N-term polar (hydrogen bond)
calcitonin gene-related peptide 1 F92 N-term hydrophobic
calcitonin gene-related peptide 1 Q93 N-term polar (hydrogen bond with backbone)
calcitonin gene-related peptide 1 D94 N-term hydrophobic
calcitonin gene-related peptide 1 D94 N-term polar (hydrogen bond)
calcitonin gene-related peptide 1 F95 N-term hydrophobic
calcitonin gene-related peptide 1 P97 N-term Van der Waals
calcitonin gene-related peptide 1 H114 N-term polar (hydrogen bond)
calcitonin gene-related peptide 1 A116 N-term Van der Waals
calcitonin gene-related peptide 1 S117 N-term polar (hydrogen bond)
calcitonin gene-related peptide 1 R119 N-term polar (hydrogen bond)
calcitonin gene-related peptide 1 W121 N-term polar (hydrogen bond)
calcitonin gene-related peptide 1 W121 N-term Van der Waals
calcitonin gene-related peptide 1 T122 N-term polar (hydrogen bond with backbone)
calcitonin gene-related peptide 1 Y124 N-term hydrophobic
calcitonin gene-related peptide 1 Y124 N-term Van der Waals
calcitonin gene-related peptide 1 T125 N-term Van der Waals
calcitonin gene-related peptide 1 N128 N-term Van der Waals
calcitonin gene-related peptide 1 H132 1.30x30 TM1 Van der Waals
calcitonin gene-related peptide 1 K134 1.32x32 TM1 Van der Waals
calcitonin gene-related peptide 1 V135 1.33x33 TM1 hydrophobic
calcitonin gene-related peptide 1 A138 1.36x36 TM1 hydrophobic
calcitonin gene-related peptide 1 L139 1.37x37 TM1 hydrophobic
calcitonin gene-related peptide 1 L141 1.39x39 TM1 hydrophobic
calcitonin gene-related peptide 1 F142 1.40x40 TM1 hydrophobic
calcitonin gene-related peptide 1 T191 2.64x64 TM2 Van der Waals
calcitonin gene-related peptide 1 L195 2.68x68 TM2 hydrophobic
calcitonin gene-related peptide 1 A199 ECL1 Van der Waals
calcitonin gene-related peptide 1 Q202 ECL1 Van der Waals
calcitonin gene-related peptide 1 V205 ECL1 Van der Waals
calcitonin gene-related peptide 1 H219 3.36x36 TM3 Van der Waals
calcitonin gene-related peptide 1 L220 3.37x37 TM3 Van der Waals
calcitonin gene-related peptide 1 M223 3.40x40 TM3 hydrophobic
calcitonin gene-related peptide 1 I284 45.52x52 ECL2 Van der Waals
calcitonin gene-related peptide 1 S286 ECL2 polar (hydrogen bond)
calcitonin gene-related peptide 1 D287 ECL2 polar (charge-charge)
calcitonin gene-related peptide 1 H289 ECL2 Van der Waals
calcitonin gene-related peptide 1 L291 5.36x37 TM5 Van der Waals
calcitonin gene-related peptide 1 Y292 5.37x38 TM5 polar (hydrogen bond)
calcitonin gene-related peptide 1 Y292 5.37x38 TM5 polar (hydrogen bond)
calcitonin gene-related peptide 1 H295 5.40x40 TM5 Van der Waals
calcitonin gene-related peptide 1 I298 5.43x43 TM5 Van der Waals
calcitonin gene-related peptide 1 C299 5.44x44 TM5 Van der Waals
calcitonin gene-related peptide 1 F349 6.53x53 TM6 Van der Waals
calcitonin gene-related peptide 1 W354 ECL3 Van der Waals
calcitonin gene-related peptide 1 R355 ECL3 Van der Waals
calcitonin gene-related peptide 1 Y365 7.38x37 TM7 Van der Waals
calcitonin gene-related peptide 1 D366 7.39x38 TM7 Van der Waals
calcitonin gene-related peptide 1 M369 7.42x41 TM7 hydrophobic
calcitonin gene-related peptide 1 H370 7.43x42 TM7 Van der Waals
calcitonin gene-related peptide 1 M373 7.46x45 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(B)
calcitonin receptor-like receptor
TM1
1x26 1.30x30 H132
1x28 1.32x32 K134
1x29 1.33x33 V135
1x32 1.36x36 A138
1x33 1.37x37 L139
1x35 1.39x39 L141
1x36 1.40x40 F142
TM2
2x57 2.64x64 T191
2x61 2.68x68 L195
TM3
3x32 3.36x36 H219
3x33 3.37x37 L220
3x36 3.40x40 M223
ECL2
45x52 45.52x52 I284
TM5
5x41 5.36x37 L291
5x42 5.37x38 Y292
5x44 5.40x40 H295
5x47 5.43x43 I298
5x48 5.44x44 C299
TM6
6x48 6.53x53 F349
TM7
7x33 7.38x37 Y365
7x34 7.39x38 D366
7x37 7.42x41 M369
7x38 7.43x42 H370
7x41 7.46x45 M373