PDB
4ZJC
Resolution
2.8 Å
Released
March 9, 2016
Receptor
OX1
Class
A
Species
Homo sapiens
Ligand
SB-674042
Function
Antagonist
Reference
10.1038/NSMB.3183

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Ligand Amino Acid Generic Number Segment Interaction Type
SB-674042 W112 23.50x50 ECL1 hydrophobic
SB-674042 I122 3.28x28 TM3 hydrophobic
SB-674042 P123 3.29x29 TM3 hydrophobic
SB-674042 Q126 3.32x32 TM3 Van der Waals
SB-674042 Q126 3.32x32 TM3 polar (hydrogen bond)
SB-674042 V130 3.36x36 TM3 Van der Waals
SB-674042 V130 3.36x36 TM3 hydrophobic
SB-674042 Q179 4.60x61 TM4 Van der Waals
SB-674042 F219 5.42x43 TM5 Van der Waals
SB-674042 F219 5.42x43 TM5 aromatic (edge-to-face)
SB-674042 I314 6.51x51 TM6 hydrophobic
SB-674042 I314 6.51x51 TM6 Van der Waals
SB-674042 N318 6.55x55 TM6 polar (hydrogen bond)
SB-674042 N318 6.55x55 TM6 Van der Waals
SB-674042 H344 7.39x38 TM7 Van der Waals
SB-674042 Y348 7.43x42 TM7 Van der Waals

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Snake plot — Download: PNG | SVG
ICL1 H H M R ICL1ECL1 S W L F ECL1ICL2 P L L F K S ICL2ECL2 E C S S V L P E L A N R T R L F S V C D E R W A D D ECL2ICL3 G T T S A L V R N W K R P S D Q L G D L E Q G L S G E P Q P R A R A ICL3ECL3 G M F R Q A S ECL3N-term M E P S A T P G A Q M G V P P G S R E P S P V P P D Y E D E F L R Y L W R D Y L Y P K Q Y N-termC-term G L G P C G S L K A P S P R S S A S H K S L S L Q S R C S I S K I S E H V V L T S V T T V L P C-term E W V L I A A Y V A V F V V A L V G N T L V C L A V W R N T V T N Y F I V N L S L A D V L V T A I C L P A S L L V D I T E G H A L C K V I P Y L Q A V S V S V A V L T L S F I A L D R W Y A I C H T A R R A R G S I L G I W A V S L A I M V P Q A A V M L Y P K I Y H S C F F I V T Y L A P L G L M A M A Y F Q I F R K L W G R Q I P F L A E V K Q M R A R R K T A K M L M V V L L V F A L C Y L P I S V L N V L K R V F D R E A V Y A C F T F S H W L V Y A N S A A N P I I Y N F L S G K F K A C L P F R E Q A F S C
Helix box plot — Download: PNG | SVG T N G V L A V V F V A V Y A A I L V W E 1 V N L S L A D V L V T I A C L P A S L L V 2 F S L T L V A V S V S V A Q L Y P I V K 3 A R G S I L G I W A V S L A I M V P Q 4 Y A M A M L G L P A L Y T V I F F C S H Y 5 M V V L L V F A L C Y L P I S V L N V L 6 I P N A A S N A Y V L W H S F T F C A 7

GPCRdb(A)
GPCRdb(A)
OX1 receptor
ECL1
23x50 23.50x50 W112
TM3
3x28 3.28x28 I122
3x29 3.29x29 P123
3x32 3.32x32 Q126
3x36 3.36x36 V130
TM4
4x61 4.60x61 Q179
TM5
5x43 5.42x43 F219
TM6
6x51 6.51x51 I314
6x55 6.55x55 N318
TM7
7x38 7.39x38 H344
7x42 7.43x42 Y348