PDB
8HK2
Resolution
2.9 Å
Released
May 10, 2023
Receptor
C3a
Class
A
Species
Homo sapiens
Ligand
Function
C3a anaphylatoxin
Agonist
Reference
10.1038/S41589-023-01339-W

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Ligand Amino Acid Generic Number Segment Interaction Type
C3a anaphylatoxin F77 2.59x59 TM2 Van der Waals
C3a anaphylatoxin S78 2.60x60 TM2 Van der Waals
C3a anaphylatoxin H81 2.63x63 TM2 hydrophobic
C3a anaphylatoxin W88 23.50x50 ECL1 hydrophobic
C3a anaphylatoxin P99 3.29x29 TM3 Van der Waals
C3a anaphylatoxin I102 3.32x32 TM3 hydrophobic
C3a anaphylatoxin V103 3.33x33 TM3 Van der Waals
C3a anaphylatoxin M106 3.36x36 TM3 Van der Waals
C3a anaphylatoxin R161 4.64x65 TM4 polar (charge-charge)
C3a anaphylatoxin F164 ECL2 hydrophobic
C3a anaphylatoxin T166 ECL2 Van der Waals
C3a anaphylatoxin D167 ECL2 Van der Waals
C3a anaphylatoxin R171 ECL2 Van der Waals
C3a anaphylatoxin G173 45.51x51 ECL2 Van der Waals
C3a anaphylatoxin Y174 45.52x52 ECL2 hydrophobic
C3a anaphylatoxin Y174 45.52x52 ECL2 polar (hydrogen bond)
C3a anaphylatoxin K175 ECL2 Van der Waals
C3a anaphylatoxin L333 5.35x36 TM5 Van der Waals
C3a anaphylatoxin R340 5.42x43 TM5 polar (charge-charge)
C3a anaphylatoxin R340 5.42x43 TM5 polar (hydrogen bond)
C3a anaphylatoxin Y393 6.51x51 TM6 polar (hydrogen bond with backbone)
C3a anaphylatoxin F396 6.54x54 TM6 Van der Waals
C3a anaphylatoxin G397 6.55x55 TM6 Van der Waals
C3a anaphylatoxin L401 6.59x59 TM6 Van der Waals
C3a anaphylatoxin D404 ECL3 polar (hydrogen bond)
C3a anaphylatoxin D404 ECL3 polar (charge-charge)
C3a anaphylatoxin P405 ECL3 Van der Waals
C3a anaphylatoxin M414 7.32x31 TM7 hydrophobic
C3a anaphylatoxin D417 7.35x34 TM7 polar (charge-charge)
C3a anaphylatoxin D417 7.35x34 TM7 polar (hydrogen bond)
C3a anaphylatoxin H418 7.36x35 TM7 Van der Waals
C3a anaphylatoxin I421 7.39x38 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
C3a receptor
TM2
2x59 2.59x59 F77
2x60 2.60x60 S78
2x63 2.63x63 H81
ECL1
23x50 23.50x50 W88
TM3
3x29 3.29x29 P99
3x32 3.32x32 I102
3x33 3.33x33 V103
3x36 3.36x36 M106
TM4
4x65 4.64x65 R161
ECL2
45x51 45.51x51 G173
45x52 45.52x52 Y174
TM5
5x36 5.35x36 L333
5x43 5.42x43 R340
TM6
6x51 6.51x51 Y393
6x54 6.54x54 F396
6x55 6.55x55 G397
6x59 6.59x59 L401
TM7
7x31 7.32x31 M414
7x34 7.35x34 D417
7x35 7.36x35 H418
7x38 7.39x38 I421