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

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Ligand Amino Acid Generic Number Segment Interaction Type
SB-674042 C99 2.57x56 TM2 Van der Waals
SB-674042 A102 2.60x59 TM2 hydrophobic
SB-674042 S103 2.61x60 TM2 Van der Waals
SB-674042 V106 2.64x63 TM2 Van der Waals
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 hydrophobic
SB-674042 A127 3.33x33 TM3 Van der Waals
SB-674042 V130 3.36x36 TM3 hydrophobic
SB-674042 Q179 4.60x61 TM4 Van der Waals
SB-674042 M183 4.64x65 TM4 Van der Waals
SB-674042 E204 45.52x52 ECL2 Van der Waals
SB-674042 H216 5.39x40 TM5 Van der Waals
SB-674042 F219 5.42x43 TM5 aromatic (edge-to-face)
SB-674042 F219 5.42x43 TM5 hydrophobic
SB-674042 Y311 6.48x48 TM6 hydrophobic
SB-674042 I314 6.51x51 TM6 hydrophobic
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
TM2
2x56 2.57x56 C99
2x59 2.60x59 A102
2x60 2.61x60 S103
2x63 2.64x63 V106
ECL1
23x50 23.50x50 W112
TM3
3x28 3.28x28 I122
3x29 3.29x29 P123
3x32 3.32x32 Q126
3x33 3.33x33 A127
3x36 3.36x36 V130
TM4
4x61 4.60x61 Q179
4x65 4.64x65 M183
ECL2
45x52 45.52x52 E204
TM5
5x40 5.39x40 H216
5x43 5.42x43 F219
TM6
6x48 6.48x48 Y311
6x51 6.51x51 I314
6x55 6.55x55 N318
TM7
7x38 7.39x38 H344
7x42 7.43x42 Y348