PDB
6PB0
Resolution
3.0 Å
Released
Feb. 12, 2020
Receptor
CRF1
Class
B1
Species
Homo sapiens
Ligands
Function
CHEMBL427807
Agonist
Cholesterol (R:404)
PAM
Cholesterol (R:406)
PAM
Reference
10.1016/J.MOLCEL.2020.01.013
CHEMBL427807 Cholesterol (R:404) Cholesterol (R:406)

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL427807 L106 N-term Van der Waals
CHEMBL427807 N107 N-term Van der Waals
CHEMBL427807 E109 N-term polar (charge-charge)
CHEMBL427807 E109 N-term polar (hydrogen bond)
CHEMBL427807 K113 1.33x33 TM1 hydrophobic
CHEMBL427807 H117 1.37x37 TM1 Van der Waals
CHEMBL427807 V120 1.40x40 TM1 hydrophobic
CHEMBL427807 N123 1.43x43 TM1 Van der Waals
Cholesterol (R:406) L164 2.59x59 TM2 Van der Waals
CHEMBL427807 W169 2.64x64 TM2 polar (hydrogen bond)
CHEMBL427807 V172 2.67x67 TM2 hydrophobic
CHEMBL427807 Q173 2.68x68 TM2 Van der Waals
CHEMBL427807 S177 ECL1 Van der Waals
CHEMBL427807 P178 ECL1 hydrophobic
CHEMBL427807 H181 ECL1 Van der Waals
Cholesterol (R:404) R189 3.30x30 TM3 Van der Waals
Cholesterol (R:404) L190 3.31x31 TM3 hydrophobic
CHEMBL427807 T192 3.33x33 TM3 hydrophobic
Cholesterol (R:404) A193 3.34x34 TM3 Van der Waals
Cholesterol (R:406) A194 3.35x35 TM3 hydrophobic
CHEMBL427807 Y195 3.36x36 TM3 hydrophobic
CHEMBL427807 Y195 3.36x36 TM3 polar (hydrogen bond)
CHEMBL427807 N196 3.37x37 TM3 Van der Waals
Cholesterol (R:406) Y197 3.38x38 TM3 Van der Waals
Cholesterol (R:406) F198 3.39x39 TM3 Van der Waals
CHEMBL427807 H199 3.40x40 TM3 Van der Waals
CHEMBL427807 F203 3.44x44 TM3 hydrophobic
Cholesterol (R:406) I232 4.46x47 TM4 Van der Waals
Cholesterol (R:406) W236 4.50x50 TM4 hydrophobic
Cholesterol (R:404) F240 4.54x54 TM4 hydrophobic
Cholesterol (R:404) I243 4.57x57 TM4 hydrophobic
Cholesterol (R:404) V244 4.58x58 TM4 hydrophobic
Cholesterol (R:404) A247 4.61x61 TM4 Van der Waals
Cholesterol (R:404) L251 4.65x65 TM4 hydrophobic
Cholesterol (R:404) W259 45.51x51 ECL2 hydrophobic
CHEMBL427807 F260 45.52x52 ECL2 hydrophobic
CHEMBL427807 F260 45.52x52 ECL2 polar (hydrogen bond with backbone)
CHEMBL427807 G261 ECL2 Van der Waals
CHEMBL427807 K262 ECL2 Van der Waals
CHEMBL427807 Y270 5.37x38 TM5 Van der Waals
CHEMBL427807 Y272 5.39x39 TM5 polar (hydrogen bond)
CHEMBL427807 Q273 5.40x40 TM5 hydrophobic
CHEMBL427807 M276 5.43x43 TM5 hydrophobic
CHEMBL427807 I277 5.44x44 TM5 hydrophobic
CHEMBL427807 Y327 6.53x53 TM6 Van der Waals
CHEMBL427807 F330 ECL3 Van der Waals
CHEMBL427807 F331 ECL3 hydrophobic
CHEMBL427807 F331 ECL3 polar (hydrogen bond with backbone)
CHEMBL427807 V332 ECL3 Van der Waals
CHEMBL427807 F344 7.38x37 TM7 Van der Waals
CHEMBL427807 I345 7.39x38 TM7 hydrophobic
CHEMBL427807 N348 7.42x41 TM7 polar (hydrogen bond)
CHEMBL427807 N348 7.42x41 TM7 hydrophobic
CHEMBL427807 S349 7.43x42 TM7 Van der Waals
CHEMBL427807 E352 7.46x45 TM7 polar (hydrogen bond)

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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 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
1x39 1.43x43 N123
TM2
2x52 2.59x59 L164
2x57 2.64x64 W169
2x60 2.67x67 V172
2x61 2.68x68 Q173
TM3
3x26 3.30x30 R189
3x27 3.31x31 L190
3x29 3.33x33 T192
3x30 3.34x34 A193
3x31 3.35x35 A194
3x32 3.36x36 Y195
3x33 3.37x37 N196
3x34 3.38x38 Y197
3x35 3.39x39 F198
3x36 3.40x40 H199
3x40 3.44x44 F203
TM4
4x47 4.46x47 I232
4x50 4.50x50 W236
4x54 4.54x54 F240
4x57 4.57x57 I243
4x58 4.58x58 V244
4x61 4.61x61 A247
4x65 4.65x65 L251
ECL2
45x51 45.51x51 W259
45x52 45.52x52 F260
TM5
5x42 5.37x38 Y270
5x43 5.39x39 Y272
5x44 5.40x40 Q273
5x47 5.43x43 M276
5x48 5.44x44 I277
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