PDB
6P9X
Resolution
2.9 Å
Released
Feb. 5, 2020
Receptor
CRF1
Class
B1
Species
Homo sapiens
Ligand
Function
corticorelin
Agonist
Reference
10.1016/J.MOLCEL.2020.01.012

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Ligand Amino Acid Generic Number Segment Interaction Type
corticorelin K113 N-term hydrophobic
corticorelin Y116 1.36x36 TM1 hydrophobic
corticorelin H117 1.37x37 TM1 Van der Waals
corticorelin A119 1.39x39 TM1 Van der Waals
corticorelin V120 1.40x40 TM1 Van der Waals
corticorelin N123 1.43x43 TM1 Van der Waals
corticorelin W169 2.64x64 TM2 Van der Waals
corticorelin V172 2.67x67 TM2 hydrophobic
corticorelin Q173 2.68x68 TM2 Van der Waals
corticorelin M176 ECL1 hydrophobic
corticorelin S177 ECL1 Van der Waals
corticorelin P178 ECL1 Van der Waals
corticorelin H181 ECL1 hydrophobic
corticorelin T192 3.33x33 TM3 hydrophobic
corticorelin Y195 3.36x36 TM3 hydrophobic
corticorelin Y195 3.36x36 TM3 aromatic (edge-to-face)
corticorelin N196 3.37x37 TM3 Van der Waals
corticorelin H199 3.40x40 TM3 Van der Waals
corticorelin F203 3.44x44 TM3 hydrophobic
corticorelin F260 45.52x52 ECL2 polar (hydrogen bond with backbone)
corticorelin F260 45.52x52 ECL2 hydrophobic
corticorelin G261 ECL2 Van der Waals
corticorelin K262 ECL2 Van der Waals
corticorelin Y267 ECL2 Van der Waals
corticorelin Y272 5.39x39 TM5 Van der Waals
corticorelin Q273 5.40x40 TM5 Van der Waals
corticorelin M276 5.43x43 TM5 hydrophobic
corticorelin I277 5.44x44 TM5 hydrophobic
corticorelin L280 5.47x47 TM5 hydrophobic
corticorelin Y327 6.53x53 TM6 polar (hydrogen bond with backbone)
corticorelin Y327 6.53x53 TM6 hydrophobic
corticorelin F330 ECL3 Van der Waals
corticorelin F331 ECL3 polar (hydrogen bond with backbone)
corticorelin F331 ECL3 hydrophobic
corticorelin V332 ECL3 hydrophobic
corticorelin N333 ECL3 Van der Waals
corticorelin F344 7.38x37 TM7 hydrophobic
corticorelin I345 7.39x38 TM7 hydrophobic
corticorelin N348 7.42x41 TM7 hydrophobic
corticorelin S349 7.43x42 TM7 Van der Waals
corticorelin E352 7.46x45 TM7 polar (hydrogen bond)

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

GPCRdb(A)
GPCRdb(B)
CRF1 receptor
TM1
1x32 1.36x36 Y116
1x33 1.37x37 H117
1x35 1.39x39 A119
1x36 1.40x40 V120
1x39 1.43x43 N123
TM2
2x57 2.64x64 W169
2x60 2.67x67 V172
2x61 2.68x68 Q173
TM3
3x29 3.33x33 T192
3x32 3.36x36 Y195
3x33 3.37x37 N196
3x36 3.40x40 H199
3x40 3.44x44 F203
ECL2
45x52 45.52x52 F260
TM5
5x43 5.39x39 Y272
5x44 5.40x40 Q273
5x47 5.43x43 M276
5x48 5.44x44 I277
5x51 5.47x47 L280
TM6
6x48 6.53x53 Y327
TM7
7x33 7.38x37 F344
7x34 7.39x38 I345
7x37 7.42x41 N348
7x38 7.43x42 S349
7x41 7.46x45 E352