PDB
6PB0
Resolution
3.0 Å
Released
Feb. 12, 2020
Receptor
CRF1
Class
B1
Species
Homo sapiens
Ligands
CHEMBL427807
Cholesterol
Function
Agonist
Cofactor
Reference
10.1016/J.MOLCEL.2020.01.013
CHEMBL427807 Cholesterol

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL427807 E109 N-term polar (charge-assisted hydrogen bond)
CHEMBL427807 K113 1.33x33 TM1 polar (charge-assisted hydrogen bond)
CHEMBL427807 H117 1.37x37 TM1 Van der Waals
CHEMBL427807 V120 1.40x40 TM1 hydrophobic
CHEMBL427807 W169 2.64x64 TM2 polar (hydrogen bond)
CHEMBL427807 W169 2.64x64 TM2 Van der Waals
CHEMBL427807 Q173 2.68x68 TM2 Van der Waals
CHEMBL427807 P178 ECL1 hydrophobic
CHEMBL427807 P178 ECL1 Van der Waals
CHEMBL427807 H181 ECL1 Van der Waals
Cholesterol W187 3.28x28 TM3 hydrophobic
CHEMBL427807 T192 3.33x33 TM3 Van der Waals
CHEMBL427807 Y195 3.36x36 TM3 polar (hydrogen bond)
CHEMBL427807 N196 3.37x37 TM3 Van der Waals
CHEMBL427807 H199 3.40x40 TM3 Van der Waals
CHEMBL427807 F203 3.44x44 TM3 hydrophobic
CHEMBL427807 F203 3.44x44 TM3 Van der Waals
CHEMBL427807 F260 45.52x52 ECL2 Van der Waals
CHEMBL427807 F260 45.52x52 ECL2 polar (hydrogen bond with backbone)
CHEMBL427807 K262 ECL2 Van der Waals
CHEMBL427807 Y272 5.39x39 TM5 Van der Waals
CHEMBL427807 Y272 5.39x39 TM5 polar (hydrogen bond)
CHEMBL427807 Q273 5.40x40 TM5 Van der Waals
CHEMBL427807 M276 5.43x43 TM5 hydrophobic
CHEMBL427807 M276 5.43x43 TM5 Van der Waals
CHEMBL427807 Y327 6.53x53 TM6 hydrophobic
CHEMBL427807 Y327 6.53x53 TM6 Van der Waals
CHEMBL427807 F330 ECL3 Van der Waals
CHEMBL427807 F330 ECL3 polar (hydrogen bond with backbone)
CHEMBL427807 F331 ECL3 Van der Waals
CHEMBL427807 F331 ECL3 polar (hydrogen bond with backbone)
CHEMBL427807 F344 7.38x37 TM7 Van der Waals
CHEMBL427807 F344 7.38x37 TM7 hydrophobic
CHEMBL427807 I345 7.39x38 TM7 hydrophobic
CHEMBL427807 I345 7.39x38 TM7 Van der Waals
CHEMBL427807 N348 7.42x41 TM7 polar (hydrogen bond)
CHEMBL427807 N348 7.42x41 TM7 polar (hydrogen bond)
CHEMBL427807 S349 7.43x42 TM7 Van der Waals
CHEMBL427807 E352 7.46x45 TM7 polar (charge-assisted 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
1x29 1.33x33 K113
1x33 1.37x37 H117
1x36 1.40x40 V120
TM2
2x57 2.64x64 W169
2x61 2.68x68 Q173
TM3
3x24 3.28x28 W187
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
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