PDB
6PB1
Resolution
2.8 Å
Released
Feb. 12, 2020
Receptor
CRF2
Class
B1
Species
Homo sapiens
Ligands
CHEMBL427807
Cholesterol
Function
Agonist
PAM
Reference
10.1016/J.MOLCEL.2020.01.013
CHEMBL427807 Cholesterol

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL427807 Q106 N-term polar (hydrogen bond)
CHEMBL427807 Q106 N-term polar (hydrogen bond)
CHEMBL427807 R107 N-term polar (charge-assisted hydrogen bond)
CHEMBL427807 Y113 1.36x36 TM1 hydrophobic
CHEMBL427807 Y113 1.36x36 TM1 Van der Waals
CHEMBL427807 L117 1.40x40 TM1 hydrophobic
CHEMBL427807 L117 1.40x40 TM1 Van der Waals
Cholesterol V118 1.41x41 TM1 hydrophobic
Cholesterol Y121 1.44x44 TM1 hydrophobic
Cholesterol L122 1.45x45 TM1 hydrophobic
CHEMBL427807 W166 2.64x64 TM2 Van der Waals
CHEMBL427807 W166 2.64x64 TM2 polar (hydrogen bond)
CHEMBL427807 L169 2.67x67 TM2 hydrophobic
CHEMBL427807 L169 2.67x67 TM2 Van der Waals
CHEMBL427807 V172 ECL1 Van der Waals
CHEMBL427807 D173 ECL1 Van der Waals
CHEMBL427807 H174 ECL1 Van der Waals
CHEMBL427807 H177 ECL1 Van der Waals
CHEMBL427807 E178 ECL1 polar (charge-assisted hydrogen bond)
CHEMBL427807 F191 3.36x36 TM3 Van der Waals
CHEMBL427807 F191 3.36x36 TM3 hydrophobic
CHEMBL427807 N192 3.37x37 TM3 Van der Waals
CHEMBL427807 F199 3.44x44 TM3 Van der Waals
CHEMBL427807 F199 3.44x44 TM3 hydrophobic
CHEMBL427807 F256 45.52x52 ECL2 polar (hydrogen bond with backbone)
CHEMBL427807 F256 45.52x52 ECL2 Van der Waals
CHEMBL427807 K258 ECL2 Van der Waals
CHEMBL427807 Q269 5.40x40 TM5 polar (hydrogen bond)
CHEMBL427807 Q269 5.40x40 TM5 Van der Waals
CHEMBL427807 I272 5.43x43 TM5 Van der Waals
CHEMBL427807 I272 5.43x43 TM5 hydrophobic
CHEMBL427807 Y323 6.53x53 TM6 Van der Waals
CHEMBL427807 Y323 6.53x53 TM6 hydrophobic
CHEMBL427807 F326 ECL3 Van der Waals
CHEMBL427807 F327 ECL3 Van der Waals
CHEMBL427807 F327 ECL3 hydrophobic
CHEMBL427807 F340 7.38x37 TM7 Van der Waals
CHEMBL427807 F340 7.38x37 TM7 hydrophobic
CHEMBL427807 I341 7.39x38 TM7 hydrophobic
CHEMBL427807 N344 7.42x41 TM7 polar (hydrogen bond)
CHEMBL427807 Q348 7.46x45 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(B)
CRF2 receptor
TM1
1x32 1.36x36 Y113
1x36 1.40x40 L117
1x37 1.41x41 V118
1x40 1.44x44 Y121
1x41 1.45x45 L122
TM2
2x57 2.64x64 W166
2x60 2.67x67 L169
TM3
3x32 3.36x36 F191
3x33 3.37x37 N192
3x40 3.44x44 F199
ECL2
45x52 45.52x52 F256
TM5
5x44 5.40x40 Q269
5x47 5.43x43 I272
TM6
6x48 6.53x53 Y323
TM7
7x33 7.38x37 F340
7x34 7.39x38 I341
7x37 7.42x41 N344
7x41 7.46x45 Q348