PDB
6HLL
Resolution
3.3 Å
Released
Jan. 16, 2019
Receptor
NK1
Class
A
Species
Homo sapiens
Ligand
CP 99994
Function
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 Q165 4.60x61 TM4 polar (hydrogen bond)
CP 99994 H197 5.39x40 TM5 Van der Waals
CP 99994 H197 5.39x40 TM5 aromatic (face-to-face)
CP 99994 V200 5.42x43 TM5 hydrophobic
CP 99994 V200 5.42x43 TM5 Van der Waals
CP 99994 W261 6.48x48 TM6 hydrophobic
CP 99994 F264 6.51x51 TM6 hydrophobic
CP 99994 F264 6.51x51 TM6 Van der Waals
CP 99994 F268 6.55x55 TM6 Van der Waals
CP 99994 F268 6.55x55 TM6 hydrophobic

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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
TM4
4x61 4.60x61 Q165
TM5
5x40 5.39x40 H197
5x43 5.42x43 V200
TM6
6x48 6.48x48 W261
6x51 6.51x51 F264
6x55 6.55x55 F268