PDB
7XK8
Resolution
3.3 Å
Released
Feb. 22, 2023
Receptor
NMU2
Class
A
Species
Homo sapiens
Ligand
CHEMBL3315349
Function
Agonist
Reference
10.1038/S41467-022-34814-4

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL3315349 E102 2.61x60 TM2 polar (charge-assisted hydrogen bond)
CHEMBL3315349 E105 2.64x63 TM2 polar (charge-assisted hydrogen bond)
CHEMBL3315349 M106 2.65x64 TM2 Van der Waals
CHEMBL3315349 M106 2.65x64 TM2 hydrophobic
CHEMBL3315349 N109 ECL1 polar (hydrogen bond)
CHEMBL3315349 N109 ECL1 Van der Waals
CHEMBL3315349 N109 ECL1 polar (hydrogen bond)
CHEMBL3315349 F126 3.32x32 TM3 Van der Waals
CHEMBL3315349 F126 3.32x32 TM3 hydrophobic
CHEMBL3315349 E127 3.33x33 TM3 polar (charge-assisted hydrogen bond)
CHEMBL3315349 H185 ECL2 polar (hydrogen bond)
CHEMBL3315349 P199 ECL2 polar (hydrogen bond with backbone)
CHEMBL3315349 P199 ECL2 Van der Waals
CHEMBL3315349 S201 ECL2 Van der Waals
CHEMBL3315349 C204 45.50x50 ECL2 Van der Waals
CHEMBL3315349 Y213 5.35x35 TM5 Van der Waals
CHEMBL3315349 Y213 5.35x35 TM5 polar (hydrogen bond)
CHEMBL3315349 F284 6.51x51 TM6 Van der Waals
CHEMBL3315349 F284 6.51x51 TM6 hydrophobic
CHEMBL3315349 R288 6.55x55 TM6 polar (charge-assisted hydrogen bond)
CHEMBL3315349 F291 6.58x58 TM6 hydrophobic
CHEMBL3315349 F291 6.58x58 TM6 Van der Waals
CHEMBL3315349 W297 ECL3 Van der Waals
CHEMBL3315349 W297 ECL3 hydrophobic
CHEMBL3315349 A302 7.28x27 TM7 hydrophobic
CHEMBL3315349 A302 7.28x27 TM7 Van der Waals
CHEMBL3315349 F305 7.31x30 TM7 hydrophobic
CHEMBL3315349 F305 7.31x30 TM7 Van der Waals
CHEMBL3315349 N306 7.32x31 TM7 Van der Waals
CHEMBL3315349 H309 7.35x34 TM7 polar (hydrogen bond)
CHEMBL3315349 H309 7.35x34 TM7 Van der Waals
CHEMBL3315349 G313 7.39x38 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
NMU2 receptor
TM2
2x60 2.61x60 E102
2x63 2.64x63 E105
2x64 2.65x64 M106
TM3
3x32 3.32x32 F126
3x33 3.33x33 E127
ECL2
45x50 45.50x50 C204
TM5
5x35 5.35x35 Y213
TM6
6x51 6.51x51 F284
6x55 6.55x55 R288
6x58 6.58x58 F291
TM7
7x27 7.28x27 A302
7x30 7.31x30 F305
7x31 7.32x31 N306
7x34 7.35x34 H309
7x38 7.39x38 G313