PDB
8IYH
Resolution
3.3 Å
Released
March 6, 2024
Receptor
HCA2
Class
A
Species
Homo sapiens
Ligand
MK 6892
Function
Agonist
Reference
10.1038/S41467-024-46239-2

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Ligand Amino Acid Generic Number Segment Interaction Type
MK 6892 L83 2.60x60 TM2 hydrophobic
MK 6892 L107 3.32x32 TM3 hydrophobic
MK 6892 A108 3.33x33 TM3 hydrophobic
MK 6892 R111 3.36x36 TM3 polar (charge-assisted hydrogen bond)
MK 6892 Q112 3.37x37 TM3 polar (hydrogen bond)
MK 6892 L158 4.56x56 TM4 Van der Waals
MK 6892 T159 4.57x57 TM4 Van der Waals
MK 6892 S179 45.52x52 ECL2 polar (hydrogen bond with backbone)
MK 6892 S179 45.52x52 ECL2 Van der Waals
MK 6892 F180 ECL2 polar (hydrogen bond with backbone)
MK 6892 F180 ECL2 Van der Waals
MK 6892 H189 5.39x40 TM5 Van der Waals
MK 6892 H189 5.39x40 TM5 aromatic (face-to-edge)
MK 6892 M192 5.42x43 TM5 hydrophobic
MK 6892 M192 5.42x43 TM5 Van der Waals
MK 6892 Y284 7.43x42 TM7 polar (hydrogen bond)
MK 6892 Y284 7.43x42 TM7 Van der Waals

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Snake plot — Download: PNG | SVG
ICL1 L K S W ICL1ECL1 W D W K F ECL1ICL2 P H H A L N K I ICL2ECL2 M P I Q N G G A N L C S S F S I C H T F ECL2ICL3 M D R H A ICL3ECL3 G T Q N C E V ECL3N-term M N R H H L Q D H F L E I D K K N C C V F R D D N-termC-term Q R K M T G E P D N N R S T S V E L T G D P N K T R G A P E A L M A N S G E P W S P S Y L G P T S P C-term F I V K V L P P V L G L E F I F G L L G N G L A L W I F C F H K S S R I F L F N L A V A D F L L I I C L P F L M D N Y V R R G D I P C R L M L F M L A M N R Q G S I I F L T V V A V D R Y F R V V H S N R T A A I I S C L L W G I T I G L T V H L L K K K Q W H E A M F L L E F F L P L G I I L F C S A R I I W S L R Q R Q K I K R A I T F I M V V A I V F V I C F L P S V V V R I R I F W L L H T S Y R S V D L A F F I T L S F T Y M N S M L D P V V Y Y F S S P S F S T C L F P N F L I N R
Helix box plot — Download: PNG | SVG G N G L L G F I F E L G L V P P L V K V 1 F N L A V A D F L L I I C L P F L M D N 2 V T L F I I S G Q R N M A L M F L M L R 3 A A I I S C L L W G I T I G L T V H L L 4 S C F L I I G L P L F F E L L F M A E H W 5 M V V A I V F V I C F L P S V V V R I R 6 V P D L M S N M Y T F S L T I F F A L 7

GPCRdb(A)
GPCRdb(A)
HCA2 receptor
TM2
2x60 2.60x60 L83
TM3
3x32 3.32x32 L107
3x33 3.33x33 A108
3x36 3.36x36 R111
3x37 3.37x37 Q112
TM4
4x56 4.56x56 L158
4x57 4.57x57 T159
ECL2
45x52 45.52x52 S179
TM5
5x40 5.39x40 H189
5x43 5.42x43 M192
TM7
7x42 7.43x42 Y284