PDB
6PB1
Resolution
2.8 Å
Released
Feb. 12, 2020
Receptor
CRF2
Class
B1
Species
Homo sapiens
Ligands
Function
CHEMBL427807
Agonist
Cholesterol (P:403)
PAM
Cholesterol (P:404)
PAM
Reference
10.1016/J.MOLCEL.2020.01.013
CHEMBL427807 Cholesterol (P:403) Cholesterol (P:404)

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL427807 Q106 N-term polar (hydrogen bond)
CHEMBL427807 R107 N-term polar (charge-charge)
CHEMBL427807 R107 N-term polar (hydrogen bond)
CHEMBL427807 Y113 1.36x36 TM1 hydrophobic
CHEMBL427807 L117 1.40x40 TM1 hydrophobic
CHEMBL427807 N120 1.43x43 TM1 Van der Waals
Cholesterol (P:404) W153 2.51x51 TM2 hydrophobic
CHEMBL427807 W166 2.64x64 TM2 polar (hydrogen bond)
CHEMBL427807 L169 2.67x67 TM2 hydrophobic
CHEMBL427807 V172 ECL1 hydrophobic
CHEMBL427807 D173 ECL1 Van der Waals
CHEMBL427807 H174 ECL1 Van der Waals
CHEMBL427807 E175 ECL1 polar (charge-charge)
CHEMBL427807 H177 ECL1 Van der Waals
CHEMBL427807 E178 ECL1 polar (charge-charge)
Cholesterol (P:403) V182 3.27x27 TM3 hydrophobic
Cholesterol (P:403) R185 3.30x30 TM3 Van der Waals
Cholesterol (P:403) C186 3.31x31 TM3 Van der Waals
CHEMBL427807 T188 3.33x33 TM3 Van der Waals
Cholesterol (P:403) T189 3.34x34 TM3 hydrophobic
Cholesterol (P:403) I190 3.35x35 TM3 hydrophobic
Cholesterol (P:404) I190 3.35x35 TM3 hydrophobic
CHEMBL427807 F191 3.36x36 TM3 hydrophobic
CHEMBL427807 N192 3.37x37 TM3 Van der Waals
Cholesterol (P:403) Y193 3.38x38 TM3 Van der Waals
CHEMBL427807 F199 3.44x44 TM3 hydrophobic
Cholesterol (P:404) L228 4.46x47 TM4 hydrophobic
Cholesterol (P:404) W232 4.50x50 TM4 hydrophobic
Cholesterol (P:404) F236 4.54x54 TM4 Van der Waals
Cholesterol (P:403) F236 4.54x54 TM4 Van der Waals
Cholesterol (P:403) V240 4.58x58 TM4 Van der Waals
Cholesterol (P:403) L247 4.65x65 TM4 Van der Waals
Cholesterol (P:403) W255 45.51x51 ECL2 hydrophobic
CHEMBL427807 F256 45.52x52 ECL2 hydrophobic
CHEMBL427807 F256 45.52x52 ECL2 polar (hydrogen bond with backbone)
CHEMBL427807 G257 ECL2 Van der Waals
CHEMBL427807 K258 ECL2 polar (charge-charge)
CHEMBL427807 Y266 5.37x38 TM5 Van der Waals
CHEMBL427807 Q269 5.40x40 TM5 hydrophobic
CHEMBL427807 Q269 5.40x40 TM5 polar (hydrogen bond)
CHEMBL427807 I272 5.43x43 TM5 hydrophobic
CHEMBL427807 I273 5.44x44 TM5 Van der Waals
CHEMBL427807 Y323 6.53x53 TM6 Van der Waals
CHEMBL427807 F326 ECL3 Van der Waals
CHEMBL427807 F327 ECL3 hydrophobic
CHEMBL427807 F340 7.38x37 TM7 hydrophobic
CHEMBL427807 I341 7.39x38 TM7 hydrophobic
CHEMBL427807 N344 7.42x41 TM7 polar (hydrogen bond)
CHEMBL427807 N344 7.42x41 TM7 hydrophobic
CHEMBL427807 Q348 7.46x45 TM7 Van der Waals

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NGL is a WebGL based 3D viewer powered by MMTF.

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Download PDB file

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
1x39 1.43x43 N120
TM2
2x44 2.51x51 W153
2x57 2.64x64 W166
2x60 2.67x67 L169
TM3
3x23 3.27x27 V182
3x26 3.30x30 R185
3x27 3.31x31 C186
3x29 3.33x33 T188
3x30 3.34x34 T189
3x31 3.35x35 I190
3x32 3.36x36 F191
3x33 3.37x37 N192
3x34 3.38x38 Y193
3x40 3.44x44 F199
TM4
4x47 4.46x47 L228
4x50 4.50x50 W232
4x54 4.54x54 F236
4x58 4.58x58 V240
4x65 4.65x65 L247
ECL2
45x51 45.51x51 W255
45x52 45.52x52 F256
TM5
5x42 5.37x38 Y266
5x44 5.40x40 Q269
5x47 5.43x43 I272
5x48 5.44x44 I273
TM6
6x48 6.53x53 Y323
TM7
7x33 7.38x37 F340
7x34 7.39x38 I341
7x37 7.42x41 N344
7x41 7.46x45 Q348