Structure information

CRF1 receptor

PROTEIN CLASS

Class B1 (Secretin)

PDB CODE

8GTG

SPECIES

Homo sapiens

RESOLUTION

2.750

PREFERRED CHAIN

A

REFERENCE

10.1038/S12276-023-01082-1

PUBLICATION DATE

Sept. 13, 2023

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine N202 3.43x43 TM3 polar (hydrogen bond with backbone)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine N202 3.43x43 TM3 Van der Waals
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine F203 3.44x44 TM3 polar (hydrogen bond with backbone)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine F203 3.44x44 TM3 Van der Waals
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine M206 3.47x47 TM3 polar (hydrogen bond with backbone)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine M206 3.47x47 TM3 polar (hydrogen bond)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine F207 3.48x48 TM3 Van der Waals
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine F207 3.48x48 TM3 polar (hydrogen bond with backbone)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine G210 3.51x51 TM3 Van der Waals
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine V279 5.46x46 TM5 polar (hydrogen bond with backbone)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine V279 5.46x46 TM5 Van der Waals
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine L280 5.47x47 TM5 polar (hydrogen bond with backbone)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine L280 5.47x47 TM5 Van der Waals
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine N283 5.50x50 TM5 polar (hydrogen bond with backbone)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine N283 5.50x50 TM5 polar (hydrogen bond)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine N283 5.50x50 TM5 Van der Waals
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine F284 5.51x51 TM5 Van der Waals
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine F284 5.51x51 TM5 polar (hydrogen bond with backbone)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine L287 5.54x54 TM5 Van der Waals
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine T316 6.42x42 TM6 polar (hydrogen bond)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine T316 6.42x42 TM6 polar (hydrogen bond with backbone)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine L319 6.45x45 TM6 hydrophobic
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine L319 6.45x45 TM6 Van der Waals
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine L320 6.46x46 TM6 polar (hydrogen bond with backbone)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine L320 6.46x46 TM6 Van der Waals
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine L323 6.49x49 TM6 polar (hydrogen bond with backbone)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine L323 6.49x49 TM6 Van der Waals
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine G324 6.50x50 TM6 Van der Waals
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine Y327 6.53x53 TM6 polar (hydrogen bond)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine Q355 7.49x49 TM7 polar (hydrogen bond)
8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine F362 7.56x56 TM7 Van der Waals

Ligands

8-(4-bromo-2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

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Residue Diagrams

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
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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
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Residue Table


GPCRdb(A)
GPCRdb(B)
CRF1 receptor
TM3
3x39 3.43x43 N202
3x40 3.44x44 F203
3x43 3.47x47 M206
3x44 3.48x48 F207
3x47 3.51x51 G210
TM5
5x50 5.46x46 V279
5x51 5.47x47 L280
5x54 5.50x50 N283
5x55 5.51x51 F284
5x58 5.54x54 L287
TM6
6x37 6.42x42 T316
6x40 6.45x45 L319
6x41 6.46x46 L320
6x44 6.49x49 L323
6x45 6.50x50 G324
6x48 6.53x53 Y327
TM7
7x45 7.49x49 Q355
7x52 7.56x56 F362