PDB
8J6D
Resolution
3.1 Å
Released
Oct. 18, 2023
Receptor
C3a
Class
A
Species
Homo sapiens
Ligand
E7
Function
Agonist
Reference
10.1016/J.CELL.2023.09.020

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Ligand Amino Acid Generic Number Segment Interaction Type
E7 F77 2.59x59 TM2 hydrophobic
E7 S78 2.60x60 TM2 polar (hydrogen bond)
E7 S78 2.60x60 TM2 Van der Waals
E7 H81 2.63x63 TM2 Van der Waals
E7 I102 3.32x32 TM3 hydrophobic
E7 I102 3.32x32 TM3 Van der Waals
E7 M106 3.36x36 TM3 Van der Waals
E7 R161 4.64x65 TM4 Van der Waals
E7 Y174 45.52x52 ECL2 polar (hydrogen bond)
E7 K175 ECL2 Van der Waals
E7 R340 5.42x43 TM5 polar (charge-assisted hydrogen bond)
E7 Y393 6.51x51 TM6 polar (hydrogen bond)
E7 Y393 6.51x51 TM6 Van der Waals
E7 S400 6.58x58 TM6 polar (hydrogen bond with backbone)
E7 S400 6.58x58 TM6 Van der Waals
E7 T403 6.61x61 TM6 polar (hydrogen bond with backbone)
E7 T403 6.61x61 TM6 Van der Waals
E7 D404 ECL3 polar (hydrogen bond with backbone)
E7 D404 ECL3 polar (charge-assisted hydrogen bond)
E7 P405 ECL3 Van der Waals
E7 P405 ECL3 hydrophobic
E7 D417 7.35x34 TM7 polar (charge-assisted hydrogen bond)
E7 H418 7.36x35 TM7 Van der Waals
E7 I421 7.39x38 TM7 Van der Waals
E7 I421 7.39x38 TM7 hydrophobic

E7

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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
TM3
3x32 3.32x32 I102
3x36 3.36x36 M106
TM4
4x65 4.64x65 R161
ECL2
45x52 45.52x52 Y174
TM5
5x43 5.42x43 R340
TM6
6x51 6.51x51 Y393
6x58 6.58x58 S400
6x61 6.61x61 T403
TM7
7x34 7.35x34 D417
7x35 7.36x35 H418
7x38 7.39x38 I421