PDB
8GTI
Resolution
2.2 Å
Released
Sept. 13, 2023
Receptor
CRF1
Class
B1
Species
Homo sapiens
Ligand
BMK-C205
Function
Antagonist
Reference
10.1038/S12276-023-01082-1

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Ligand Amino Acid Generic Number Segment Interaction Type
BMK-C205 F162 2.57x57 TM2 hydrophobic
BMK-C205 F203 3.44x44 TM3 polar (hydrogen bond with backbone)
BMK-C205 F203 3.44x44 TM3 Van der Waals
BMK-C205 M206 3.47x47 TM3 polar (hydrogen bond with backbone)
BMK-C205 M206 3.47x47 TM3 Van der Waals
BMK-C205 F207 3.48x48 TM3 polar (hydrogen bond with backbone)
BMK-C205 F207 3.48x48 TM3 Van der Waals
BMK-C205 E209 3.50x50 TM3 Van der Waals
BMK-C205 G210 3.51x51 TM3 Van der Waals
BMK-C205 V279 5.46x46 TM5 polar (hydrogen bond with backbone)
BMK-C205 V279 5.46x46 TM5 Van der Waals
BMK-C205 L280 5.47x47 TM5 polar (hydrogen bond with backbone)
BMK-C205 L280 5.47x47 TM5 Van der Waals
BMK-C205 N283 5.50x50 TM5 polar (hydrogen bond)
BMK-C205 N283 5.50x50 TM5 polar (hydrogen bond with backbone)
BMK-C205 N283 5.50x50 TM5 polar (hydrogen bond)
BMK-C205 F284 5.51x51 TM5 polar (hydrogen bond with backbone)
BMK-C205 F284 5.51x51 TM5 Van der Waals
BMK-C205 L287 5.54x54 TM5 Van der Waals
BMK-C205 T316 6.42x42 TM6 polar (hydrogen bond with backbone)
BMK-C205 T316 6.42x42 TM6 polar (hydrogen bond)
BMK-C205 L319 6.45x45 TM6 Van der Waals
BMK-C205 L320 6.46x46 TM6 polar (hydrogen bond with backbone)
BMK-C205 L320 6.46x46 TM6 Van der Waals
BMK-C205 L323 6.49x49 TM6 polar (hydrogen bond with backbone)
BMK-C205 L323 6.49x49 TM6 Van der Waals
BMK-C205 G324 6.50x50 TM6 polar (hydrogen bond with backbone)
BMK-C205 G324 6.50x50 TM6 Van der Waals
BMK-C205 Y327 6.53x53 TM6 polar (hydrogen bond)
BMK-C205 Q355 7.49x49 TM7 polar (hydrogen bond)
BMK-C205 F362 7.56x56 TM7 Van der Waals

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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
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
TM2
2x50 2.57x57 F162
TM3
3x40 3.44x44 F203
3x43 3.47x47 M206
3x44 3.48x48 F207
3x46 3.50x50 E209
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