PDB
6HLL
Resolution
3.3 Å
Released
Jan. 16, 2019
Receptor
NK1
Class
A
Species
Homo sapiens
Ligand
Function
CP 99994
Antagonist
Reference
10.1038/S41467-018-07939-8

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Ligand Amino Acid Generic Number Segment Interaction Type
CP 99994 P112 3.32x32 TM3 hydrophobic
CP 99994 I113 3.33x33 TM3 hydrophobic
CP 99994 I116 3.36x36 TM3 Van der Waals
CP 99994 Q165 4.60x61 TM4 polar (hydrogen bond)
CP 99994 Q165 4.60x61 TM4 polar (hydrogen bond)
CP 99994 I182 45.52x52 ECL2 Van der Waals
CP 99994 H197 5.39x40 TM5 aromatic (face-to-face)
CP 99994 V200 5.42x43 TM5 hydrophobic
CP 99994 T201 5.43x44 TM5 Van der Waals
CP 99994 I204 5.46x461 TM5 Van der Waals
CP 99994 W261 6.48x48 TM6 Van der Waals
CP 99994 F264 6.51x51 TM6 hydrophobic
CP 99994 F268 6.55x55 TM6 aromatic (edge-to-face)
CP 99994 F268 6.55x55 TM6 hydrophobic
CP 99994 M291 7.39x38 TM7 Van der Waals
CP 99994 M295 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
NK1 receptor
TM3
3x32 3.32x32 P112
3x33 3.33x33 I113
3x36 3.36x36 V116
TM4
4x61 4.60x61 Q165
ECL2
45x52 45.52x52 I182
TM5
5x40 5.39x40 H197
5x43 5.42x43 V200
5x44 5.43x44 T201
5x461 5.46x461 I204
TM6
6x48 6.48x48 W261
6x51 6.51x51 F264
6x55 6.55x55 F268
TM7
7x38 7.39x38 M291
7x42 7.43x42 M295