PDB
7F6I
Resolution
2.8 Å
Released
Jan. 5, 2022
Receptor
B2
Class
A
Species
Homo sapiens
Ligand
Function
kallidin (Human)
Agonist
Reference
10.1038/S41467-022-28399-1

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Ligand Amino Acid Generic Number Segment Interaction Type
kallidin (Human) L53 N-term Van der Waals
kallidin (Human) W113 2.60x60 TM2 hydrophobic
kallidin (Human) F121 ECL1 hydrophobic
kallidin (Human) I137 3.32x32 TM3 hydrophobic
kallidin (Human) L141 3.36x36 TM3 hydrophobic
kallidin (Human) M192 4.60x61 TM4 Van der Waals
kallidin (Human) R196 ECL2 polar (hydrogen bond)
kallidin (Human) R196 ECL2 polar (charge-charge)
kallidin (Human) K199 ECL2 Van der Waals
kallidin (Human) Y201 ECL2 aromatic (edge-to-face)
kallidin (Human) Y201 ECL2 hydrophobic
kallidin (Human) D203 ECL2 polar (charge-charge)
kallidin (Human) E204 ECL2 polar (charge-charge)
kallidin (Human) A210 ECL2 hydrophobic
kallidin (Human) C211 45.50x50 ECL2 Van der Waals
kallidin (Human) V212 45.51x51 ECL2 hydrophobic
kallidin (Human) I213 45.52x52 ECL2 polar (hydrogen bond with backbone)
kallidin (Human) E221 5.35x36 TM5 Van der Waals
kallidin (Human) N225 5.39x40 TM5 Van der Waals
kallidin (Human) L228 5.42x43 TM5 hydrophobic
kallidin (Human) W283 6.48x48 TM6 Van der Waals
kallidin (Human) F286 6.51x51 TM6 aromatic (edge-to-face)
kallidin (Human) F286 6.51x51 TM6 hydrophobic
kallidin (Human) S289 6.54x54 TM6 Van der Waals
kallidin (Human) T290 6.55x55 TM6 Van der Waals
kallidin (Human) D293 6.58x58 TM6 polar (charge-charge)
kallidin (Human) H296 6.61x61 TM6 Van der Waals
kallidin (Human) R297 6.62x62 TM6 Van der Waals
kallidin (Human) E307 7.28x27 TM7 polar (charge-charge)
kallidin (Human) I310 7.31x30 TM7 Van der Waals
kallidin (Human) D311 7.32x31 TM7 polar (charge-charge)
kallidin (Human) T314 7.35x34 TM7 Van der Waals
kallidin (Human) Q315 7.36x35 TM7 polar (hydrogen bond)
kallidin (Human) S318 7.39x38 TM7 polar (hydrogen bond)
kallidin (Human) F319 7.40x39 TM7 hydrophobic
kallidin (Human) A321 7.42x41 TM7 hydrophobic
kallidin (Human) Y322 7.43x42 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
B2 receptor
TM2
2x60 2.60x60 W113
TM3
3x32 3.32x32 I137
3x36 3.36x36 L141
TM4
4x61 4.60x61 M192
ECL2
45x50 45.50x50 C211
45x51 45.51x51 V212
45x52 45.52x52 I213
TM5
5x36 5.35x36 E221
5x40 5.39x40 N225
5x43 5.42x43 L228
TM6
6x48 6.48x48 W283
6x51 6.51x51 F286
6x54 6.54x54 S289
6x55 6.55x55 T290
6x58 6.58x58 D293
6x61 6.61x61 H296
6x62 6.62x62 R297
TM7
7x27 7.28x27 E307
7x30 7.31x30 I310
7x31 7.32x31 D311
7x34 7.35x34 T314
7x35 7.36x35 Q315
7x38 7.39x38 S318
7x39 7.40x39 F319
7x41 7.42x41 A321
7x42 7.43x42 Y322