PDB
8I95
Resolution
2.9 Å
Released
Oct. 18, 2023
Receptor
C3a
Class
A
Species
Homo sapiens
Ligand
Function
EP54
Agonist
Reference
10.1016/J.CELL.2023.09.020

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Ligand Amino Acid Generic Number Segment Interaction Type
EP54 F77 2.59x59 TM2 Van der Waals
EP54 S78 2.60x60 TM2 Van der Waals
EP54 H81 2.63x63 TM2 hydrophobic
EP54 W88 23.50x50 ECL1 hydrophobic
EP54 P99 3.29x29 TM3 hydrophobic
EP54 I102 3.32x32 TM3 hydrophobic
EP54 V103 3.33x33 TM3 hydrophobic
EP54 M106 3.36x36 TM3 Van der Waals
EP54 V157 4.60x61 TM4 Van der Waals
EP54 R161 ECL2 polar (charge-charge)
EP54 E162 ECL2 Van der Waals
EP54 I163 ECL2 Van der Waals
EP54 F164 ECL2 hydrophobic
EP54 R171 ECL2 Van der Waals
EP54 C172 45.50x50 ECL2 Van der Waals
EP54 G173 45.51x51 ECL2 Van der Waals
EP54 Y174 45.52x52 ECL2 polar (hydrogen bond)
EP54 Y174 45.52x52 ECL2 polar (hydrogen bond with backbone)
EP54 Y174 45.52x52 ECL2 hydrophobic
EP54 L333 5.35x36 TM5 hydrophobic
EP54 R340 5.42x43 TM5 polar (hydrogen bond)
EP54 R340 5.42x43 TM5 polar (charge-charge)
EP54 Y393 6.51x51 TM6 aromatic (pi-cation)
EP54 F396 6.54x54 TM6 Van der Waals
EP54 G397 6.55x55 TM6 Van der Waals
EP54 M414 7.32x31 TM7 Van der Waals
EP54 D417 7.35x34 TM7 hydrophobic
EP54 D417 7.35x34 TM7 polar (charge-charge)
EP54 D417 7.35x34 TM7 polar (hydrogen bond)
EP54 H418 7.36x35 TM7 Van der Waals
EP54 C420 7.38x37 TM7 Van der Waals
EP54 I421 7.39x38 TM7 hydrophobic

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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
4x61 4.60x61 V157
ECL2
45x50 45.50x50 C172
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
TM7
7x31 7.32x31 M414
7x34 7.35x34 D417
7x35 7.36x35 H418
7x37 7.38x37 C420
7x38 7.39x38 I421