Structure information

NK1 receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

6HLO

SPECIES

Homo sapiens

RESOLUTION

2.400

PREFERRED CHAIN

A

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 N89 2.61x61 TM2 polar (hydrogen bond)
Aprepitant P112 3.32x32 TM3 hydrophobic
Aprepitant I113 3.33x33 TM3 hydrophobic
Aprepitant Q165 4.60x61 TM4 polar (hydrogen bond)
Aprepitant Q165 4.60x61 TM4 polar (charge-assisted hydrogen bond)
Aprepitant Q165 4.60x61 TM4 polar (hydrogen bond)
Aprepitant I182 45.52x52 ECL2 hydrophobic
Aprepitant W184 ECL2 polar (hydrogen bond)
Aprepitant E193 5.35x36 TM5 polar (charge-assisted hydrogen bond)
Aprepitant E193 5.35x36 TM5 polar (charge-assisted hydrogen bond)
Aprepitant H197 5.39x40 TM5 aromatic (edge-to-face)
Aprepitant T201 5.43x44 TM5 polar (hydrogen bond)
Aprepitant W261 6.48x48 TM6 hydrophobic
Aprepitant F264 6.51x51 TM6 hydrophobic
Aprepitant F268 6.55x55 TM6 aromatic (face-to-edge)

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 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 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
3x32 3.32x32 P112
3x33 3.33x33 I113
TM4
4x61 4.60x61 Q165
ECL2
45x52 45.52x52 I182
TM5
5x36 5.35x36 E193
5x40 5.39x40 H197
5x44 5.43x44 T201
TM6
6x48 6.48x48 W261
6x51 6.51x51 F264
6x55 6.55x55 F268