PDB
6TQ7
Resolution
2.7 Å
Released
Jan. 1, 2020
Receptor
OX1
Class
A
Species
Homo sapiens
Ligands
Function
SB-334867 (A:401)
Antagonist
SB-334867 (A:402)
Antagonist
Reference
10.1021/acs.jmedchem.9b01787
SB-334867 (A:401) SB-334867 (A:402)

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Ligand Amino Acid Generic Number Segment Interaction Type
SB-334867 (A:401) C99 2.57x56 TM2 Van der Waals
SB-334867 (A:401) A102 2.60x59 TM2 hydrophobic
SB-334867 (A:402) S103 2.61x60 TM2 Van der Waals
SB-334867 (A:401) S103 2.61x60 TM2 Van der Waals
SB-334867 (A:401) W112 23.50x50 ECL1 hydrophobic
SB-334867 (A:401) I122 3.28x28 TM3 hydrophobic
SB-334867 (A:401) P123 3.29x29 TM3 hydrophobic
SB-334867 (A:402) Q126 3.32x32 TM3 hydrophobic
SB-334867 (A:401) Q126 3.32x32 TM3 Van der Waals
SB-334867 (A:402) Q126 3.32x32 TM3 polar (hydrogen bond)
SB-334867 (A:401) A127 3.33x33 TM3 hydrophobic
SB-334867 (A:402) V130 3.36x36 TM3 hydrophobic
SB-334867 (A:401) V130 3.36x36 TM3 Van der Waals
SB-334867 (A:401) M176 4.57x57 TM4 hydrophobic
SB-334867 (A:401) Q179 4.60x61 TM4 hydrophobic
SB-334867 (A:401) M183 4.64x65 TM4 hydrophobic
SB-334867 (A:401) C202 45.50x50 ECL2 Van der Waals
SB-334867 (A:401) F219 5.42x43 TM5 aromatic (edge-to-face)
SB-334867 (A:401) F219 5.42x43 TM5 hydrophobic
SB-334867 (A:402) F219 5.42x43 TM5 Van der Waals
SB-334867 (A:401) T223 5.46x461 TM5 hydrophobic
SB-334867 (A:402) T223 5.46x461 TM5 Van der Waals
SB-334867 (A:402) Y224 5.47x47 TM5 hydrophobic
SB-334867 (A:402) Y311 6.48x48 TM6 Van der Waals
SB-334867 (A:402) I314 6.51x51 TM6 Van der Waals
SB-334867 (A:402) S315 6.52x52 TM6 Van der Waals
SB-334867 (A:402) N318 6.55x55 TM6 Van der Waals
SB-334867 (A:402) H344 7.39x38 TM7 aromatic (face-to-face)
SB-334867 (A:402) V347 7.42x41 TM7 Van der Waals
SB-334867 (A:402) Y348 7.43x42 TM7 hydrophobic
SB-334867 (A:401) 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
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
4x57 4.57x57 M176
4x61 4.60x61 Q179
4x65 4.64x65 M183
ECL2
45x50 45.50x50 C202
TM5
5x43 5.42x43 F219
5x461 5.46x461 T223
5x47 5.47x47 Y224
TM6
6x48 6.48x48 Y311
6x51 6.51x51 I314
6x52 6.52x52 S315
6x55 6.55x55 N318
TM7
7x38 7.39x38 H344
7x41 7.42x41 V347
7x42 7.43x42 Y348