Structure information

5-HT1B receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

4IAR

SPECIES

Homo sapiens

RESOLUTION

2.700

PREFERRED CHAIN

A

PUBLICATION DATE

March 13, 2013

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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
ergotamine D129 3.32x32 TM3 polar (charge-assisted hydrogen bond)
ergotamine I130 3.33x33 TM3 hydrophobic
ergotamine I130 3.33x33 TM3 Van der Waals
ergotamine C133 3.36x36 TM3 hydrophobic
ergotamine C133 3.36x36 TM3 Van der Waals
ergotamine T134 3.37x37 TM3 polar (hydrogen bond)
ergotamine V200 45.51x51 ECL2 hydrophobic
ergotamine V200 45.51x51 ECL2 Van der Waals
ergotamine V201 45.52x52 ECL2 polar (hydrogen bond with backbone)
ergotamine V201 45.52x52 ECL2 Van der Waals
ergotamine S212 5.42x43 TM5 Van der Waals
ergotamine A216 5.46x461 TM5 hydrophobic
ergotamine W327 6.48x48 TM6 hydrophobic
ergotamine W327 6.48x48 TM6 Van der Waals
ergotamine F330 6.51x51 TM6 Van der Waals
ergotamine F330 6.51x51 TM6 hydrophobic
ergotamine F331 6.52x52 TM6 aromatic (edge-to-face)
ergotamine F331 6.52x52 TM6 Van der Waals
ergotamine S334 6.55x55 TM6 Van der Waals
ergotamine M337 6.58x58 TM6 Van der Waals
ergotamine M337 6.58x58 TM6 hydrophobic
ergotamine L348 7.32x31 TM7 hydrophobic
ergotamine L348 7.32x31 TM7 Van der Waals
ergotamine F351 7.35x34 TM7 hydrophobic
ergotamine F351 7.35x34 TM7 Van der Waals
ergotamine D352 7.36x35 TM7 Van der Waals
ergotamine T355 7.39x38 TM7 Van der Waals
ergotamine Y359 7.43x42 TM7 hydrophobic
ergotamine Y359 7.43x42 TM7 Van der Waals

Ligands

ergotamine

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Residue Diagrams

A N S L T T A L T I L A L L M V L L V K 1 A S L A V T D L L V S L I V M P I S T M Y 2 V C L H L I S A T C C T I D S S L W F D 3 A A V M I A L V W V F S I S I S L P P F 4 Y L A I L L L T P F Y F A G V T S Y V T Y 5 G I I L G A F I V C W L P F F I I S L V 6 I P N I L S N L Y G L W T F F D F I A 7
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ICL1 R K L H ICL1ECL1 R W T L ECL1ICL2 A V E Y S A K R ICL2ECL2 R Q A K A E E E V S E C V V N T D ECL2ICL3 N R T G K R L T R A Q L I T D S P G S T S S V T S I N S R V P D V P S E S G S P V Y V N Q V K V R V S D A L L E K K ICL3ECL3 K D A C W F ECL3N-term M E E P G A Q C A P P P P A G S E T W V P Q A N L S S A P S Q N C S A K D Y I Y Q D S I N-termC-term R F K C T S C-term S L P W K V L L V M L L A L I T L A T T L S N A F V I A T V Y R T T P A N Y L I A S L A V T D L L V S I L V M P I S T M Y T V T G G Q V V C D F W L S S D I T C C T A S I L H L C V I A L D R Y W A I T D T P K R A A V M I A L V W V F S I S I S L P P F F W H I L Y T V Y S T V G A F Y F P T L L L I A L Y G R I Y V E A R S R I L K Q T P K L M A A R E R K A T K T L G I I L G A F I V C W L P F F I I S L V M P I C H L A I F D F F T W L G Y L N S L I N P I I Y T M S N E D F H K F K Q A L I
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Residue Table


GPCRdb(A)
GPCRdb(A)
5-HT1B receptor
TM3
3x32 3.32x32 D129
3x33 3.33x33 I130
3x36 3.36x36 C133
3x37 3.37x37 T134
ECL2
45x51 45.51x51 V200
45x52 45.52x52 V201
TM5
5x43 5.42x43 S212
5x461 5.46x461 A216
TM6
6x48 6.48x48 W327
6x51 6.51x51 F330
6x52 6.52x52 F331
6x55 6.55x55 S334
6x58 6.58x58 M337
TM7
7x31 7.32x31 L348
7x34 7.35x34 F351
7x35 7.36x35 D352
7x38 7.39x38 T355
7x42 7.43x42 Y359