PDB
8I9A
Resolution
3.6 Å
Released
Oct. 18, 2023
Receptor
C3a
Class
A
Species
Homo sapiens
Ligand
EP54
Function
Agonist
Reference
10.1016/J.CELL.2023.09.020

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Ligand Amino Acid Generic Number Segment Interaction Type
EP54 P99 3.29x29 TM3 hydrophobic
EP54 I102 3.32x32 TM3 hydrophobic
EP54 R161 4.64x65 TM4 polar (charge-assisted hydrogen bond)
EP54 E162 ECL2 Van der Waals
EP54 F164 ECL2 hydrophobic
EP54 F164 ECL2 Van der Waals
EP54 T166 ECL2 Van der Waals
EP54 C172 45.50x50 ECL2 Van der Waals
EP54 C172 45.50x50 ECL2 polar (hydrogen bond with backbone)
EP54 G173 45.51x51 ECL2 Van der Waals
EP54 Y174 45.52x52 ECL2 Van der Waals
EP54 Y174 45.52x52 ECL2 polar (hydrogen bond with backbone)
EP54 Y174 45.52x52 ECL2 polar (hydrogen bond)
EP54 R340 5.42x43 TM5 polar (charge-assisted hydrogen bond)
EP54 Y393 6.51x51 TM6 polar (hydrogen bond)
EP54 Y393 6.51x51 TM6 Van der Waals
EP54 Y393 6.51x51 TM6 polar (hydrogen bond with backbone)
EP54 G397 6.55x55 TM6 Van der Waals
EP54 P405 ECL3 Van der Waals
EP54 P405 ECL3 hydrophobic
EP54 D417 7.35x34 TM7 polar (charge-assisted hydrogen bond)
EP54 I421 7.39x38 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
TM3
3x29 3.29x29 P99
3x32 3.32x32 I102
TM4
4x65 4.64x65 R161
ECL2
45x50 45.50x50 C172
45x51 45.51x51 G173
45x52 45.52x52 Y174
TM5
5x43 5.42x43 R340
TM6
6x51 6.51x51 Y393
6x55 6.55x55 G397
TM7
7x34 7.35x34 D417
7x38 7.39x38 I421