Structure information

BLT1 receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

7K15

SPECIES

Homo sapiens

RESOLUTION

2.880

PREFERRED CHAIN

A

REFERENCE

10.1038/S41467-021-23149-1

PUBLICATION DATE

Feb. 17, 2021

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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
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide V67 2.53x53 TM2 hydrophobic
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide F74 2.60x60 TM2 Van der Waals
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide F74 2.60x60 TM2 polar (hydrogen bond with backbone)
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide F77 2.63x63 TM2 hydrophobic
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide F77 2.63x63 TM2 Van der Waals
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide L78 2.64x64 TM2 Van der Waals
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide L78 2.64x64 TM2 hydrophobic
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide H94 3.29x29 TM3 polar (hydrogen bond)
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide H94 3.29x29 TM3 aromatic (edge-to-face)
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide H94 3.29x29 TM3 Van der Waals
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide C97 3.32x32 TM3 Van der Waals
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide C97 3.32x32 TM3 hydrophobic
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide R156 4.64x65 TM4 polar (charge-assisted hydrogen bond)
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide C168 45.50x50 ECL2 polar (hydrogen bond with backbone)
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide C168 45.50x50 ECL2 Van der Waals
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide F169 45.51x51 ECL2 hydrophobic
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide F169 45.51x51 ECL2 Van der Waals
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide P170 45.52x52 ECL2 Van der Waals
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide W234 6.48x48 TM6 Van der Waals
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide W234 6.48x48 TM6 aromatic (edge-to-face)
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide Y237 6.51x51 TM6 hydrophobic
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide Y237 6.51x51 TM6 Van der Waals
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide R267 7.35x34 TM7 Van der Waals
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide N268 7.36x35 TM7 Van der Waals
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide I271 7.39x38 TM7 Van der Waals
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide I271 7.39x38 TM7 hydrophobic
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide A274 7.42x41 TM7 hydrophobic
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide A274 7.42x41 TM7 Van der Waals
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide F275 7.43x42 TM7 aromatic (face-to-edge)
N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide F275 7.43x42 TM7 Van der Waals

Ligands

N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide

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Residue Diagrams

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


GPCRdb(A)
GPCRdb(A)
BLT1 receptor
TM2
2x53 2.53x53 V67
2x60 2.60x60 F74
2x63 2.63x63 F77
2x64 2.64x64 L78
TM3
3x29 3.29x29 H94
3x32 3.32x32 C97
TM4
4x65 4.64x65 R156
ECL2
45x50 45.50x50 C168
45x51 45.51x51 F169
45x52 45.52x52 P170
TM6
6x48 6.48x48 W234
6x51 6.51x51 Y237
TM7
7x34 7.35x34 R267
7x35 7.36x35 N268
7x38 7.39x38 I271
7x41 7.42x41 A274
7x42 7.43x42 F275