Structure information

NK1 receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

6HLP

SPECIES

Homo sapiens

RESOLUTION

2.200

PREFERRED CHAIN

A

REFERENCE

10.1038/S41467-018-07939-8

PUBLICATION DATE

Jan. 16, 2019

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
netupitant N89 2.61x61 TM2 polar (hydrogen bond)
netupitant N109 3.29x29 TM3 Van der Waals
netupitant P112 3.32x32 TM3 hydrophobic
netupitant P112 3.32x32 TM3 Van der Waals
netupitant I113 3.33x33 TM3 hydrophobic
netupitant I113 3.33x33 TM3 Van der Waals
netupitant I116 3.36x36 TM3 Van der Waals
netupitant Q165 4.60x61 TM4 Van der Waals
netupitant Q165 4.60x61 TM4 polar (hydrogen bond)
netupitant H197 5.39x40 TM5 Van der Waals
netupitant H197 5.39x40 TM5 aromatic (face-to-edge)
netupitant V200 5.42x43 TM5 hydrophobic
netupitant V200 5.42x43 TM5 Van der Waals
netupitant T201 5.43x44 TM5 Van der Waals
netupitant I204 5.46x461 TM5 Van der Waals
netupitant W261 6.48x48 TM6 hydrophobic
netupitant W261 6.48x48 TM6 Van der Waals
netupitant F264 6.51x51 TM6 hydrophobic
netupitant F264 6.51x51 TM6 Van der Waals
netupitant H265 6.52x52 TM6 Van der Waals
netupitant F268 6.55x55 TM6 hydrophobic
netupitant F268 6.55x55 TM6 Van der Waals
netupitant Y272 6.59x59 TM6 hydrophobic
netupitant Y272 6.59x59 TM6 Van der Waals
netupitant M295 7.43x42 TM7 polar (hydrogen bond)

Ligands

netupitant

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Residue Diagrams

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
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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
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Residue Table


GPCRdb(A)
GPCRdb(A)
NK1 receptor
TM2
2x61 2.61x61 N89
TM3
3x29 3.29x29 N109
3x32 3.32x32 P112
3x33 3.33x33 I113
3x36 3.36x36 V116
TM4
4x61 4.60x61 Q165
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
6x52 6.52x52 H265
6x55 6.55x55 F268
6x59 6.59x59 Y272
TM7
7x42 7.43x42 M295