PDB
4K5Y
Resolution
3.0 Å
Released
July 17, 2013
Receptor
CRF1
Class
B1
Species
Homo sapiens
Ligand
Function
CP 376,395
Inverse agonist
Reference
10.1038/NATURE12357

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Ligand Amino Acid Generic Number Segment Interaction Type
CP 376,395 F162 2.57x57 TM2 hydrophobic
CP 376,395 F203 3.44x44 TM3 hydrophobic
CP 376,395 F203 3.44x44 TM3 aromatic (edge-to-face)
CP 376,395 M206 3.47x47 TM3 hydrophobic
CP 376,395 F207 3.48x48 TM3 Van der Waals
CP 376,395 G210 3.51x51 TM3 Van der Waals
CP 376,395 L280 5.47x47 TM5 hydrophobic
CP 376,395 N283 5.50x50 TM5 polar (hydrogen bond)
CP 376,395 N283 5.50x50 TM5 hydrophobic
CP 376,395 F284 5.51x51 TM5 Van der Waals
CP 376,395 F286 5.53x53 TM5 hydrophobic
CP 376,395 L287 5.54x54 TM5 hydrophobic
CP 376,395 I290 5.57x57 TM5 Van der Waals
CP 376,395 T316 6.42x42 TM6 hydrophobic
CP 376,395 L319 6.45x45 TM6 Van der Waals
CP 376,395 L320 6.46x46 TM6 hydrophobic
CP 376,395 L323 6.49x49 TM6 hydrophobic
CP 376,395 G324 6.50x50 TM6 Van der Waals
CP 376,395 Y327 6.53x53 TM6 hydrophobic

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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
3x47 3.51x51 G210
TM5
5x51 5.47x47 L280
5x54 5.50x50 N283
5x55 5.51x51 F284
5x57 5.53x53 F286
5x58 5.54x54 L287
5x61 5.57x57 I290
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