Structure information

NK1 receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

6HLO

SPECIES

Homo sapiens

RESOLUTION

2.400

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
aprepitant N89 2.61x61 TM2 polar (hydrogen bond)
aprepitant N109 3.29x29 TM3 Van der Waals
aprepitant P112 3.32x32 TM3 Van der Waals
aprepitant P112 3.32x32 TM3 hydrophobic
aprepitant I113 3.33x33 TM3 Van der Waals
aprepitant I113 3.33x33 TM3 hydrophobic
aprepitant I116 3.36x36 TM3 Van der Waals
aprepitant Q165 4.60x61 TM4 polar (hydrogen bond)
aprepitant Q165 4.60x61 TM4 polar (hydrogen bond)
aprepitant I182 45.52x52 ECL2 Van der Waals
aprepitant I182 45.52x52 ECL2 hydrophobic
aprepitant W184 ECL2 polar (hydrogen bond)
aprepitant W184 ECL2 Van der Waals
aprepitant E193 5.35x36 TM5 polar (charge-assisted hydrogen bond)
aprepitant Y196 5.38x39 TM5 Van der Waals
aprepitant H197 5.39x40 TM5 aromatic (edge-to-face)
aprepitant H197 5.39x40 TM5 Van der Waals
aprepitant V200 5.42x43 TM5 hydrophobic
aprepitant V200 5.42x43 TM5 Van der Waals
aprepitant T201 5.43x44 TM5 Van der Waals
aprepitant T201 5.43x44 TM5 polar (hydrogen bond)
aprepitant I204 5.46x461 TM5 Van der Waals
aprepitant W261 6.48x48 TM6 Van der Waals
aprepitant W261 6.48x48 TM6 hydrophobic
aprepitant F264 6.51x51 TM6 Van der Waals
aprepitant F264 6.51x51 TM6 hydrophobic
aprepitant H265 6.52x52 TM6 Van der Waals
aprepitant F268 6.55x55 TM6 aromatic (face-to-edge)
aprepitant F268 6.55x55 TM6 Van der Waals
aprepitant M295 7.43x42 TM7 Van der Waals

Ligands

aprepitant

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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
ECL2
45x52 45.52x52 I182
TM5
5x36 5.35x36 E193
5x39 5.38x39 Y196
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
TM7
7x42 7.43x42 M295