PDB
7XNA
Resolution
2.7 Å
Released
Aug. 3, 2022
Receptor
SST2
Class
A
Species
Homo sapiens
Ligand
Function
CYN 154806
Antagonist
Reference
10.1038/S41422-022-00679-X

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Ligand Amino Acid Generic Number Segment Interaction Type
CYN 154806 S42 1.31x31 TM1 Van der Waals
CYN 154806 N43 1.32x32 TM1 Van der Waals
CYN 154806 L46 1.35x35 TM1 Van der Waals
CYN 154806 Q102 2.63x63 TM2 hydrophobic
CYN 154806 V103 2.64x64 TM2 hydrophobic
CYN 154806 E106 ECL1 hydrophobic
CYN 154806 M119 3.29x29 TM3 Van der Waals
CYN 154806 D122 3.32x32 TM3 polar (hydrogen bond)
CYN 154806 D122 3.32x32 TM3 polar (charge-charge)
CYN 154806 Q126 3.36x36 TM3 polar (hydrogen bond)
CYN 154806 S192 ECL2 Van der Waals
CYN 154806 T194 45.51x51 ECL2 Van der Waals
CYN 154806 I195 45.52x52 ECL2 hydrophobic
CYN 154806 Y205 5.35x36 TM5 hydrophobic
CYN 154806 F208 5.38x39 TM5 aromatic (edge-to-face)
CYN 154806 F208 5.38x39 TM5 hydrophobic
CYN 154806 F272 6.51x51 TM6 Van der Waals
CYN 154806 F275 6.54x54 TM6 hydrophobic
CYN 154806 S279 6.58x58 TM6 Van der Waals
CYN 154806 M282 ECL3 hydrophobic
CYN 154806 P286 ECL3 hydrophobic
CYN 154806 L290 7.31x30 TM7 polar (hydrogen bond with backbone)
CYN 154806 K291 7.32x31 TM7 hydrophobic
CYN 154806 F294 7.35x34 TM7 hydrophobic
CYN 154806 F294 7.35x34 TM7 aromatic (edge-to-face)
CYN 154806 D295 7.36x35 TM7 polar (hydrogen bond)
CYN 154806 V298 7.39x38 TM7 hydrophobic
CYN 154806 Y302 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
SST2 receptor
TM1
1x31 1.31x31 S42
1x32 1.32x32 N43
1x35 1.35x35 L46
TM2
2x63 2.63x63 Q102
2x64 2.64x64 V103
TM3
3x29 3.29x29 M119
3x32 3.32x32 D122
3x36 3.36x36 Q126
ECL2
45x51 45.51x51 T194
45x52 45.52x52 I195
TM5
5x36 5.35x36 Y205
5x39 5.38x39 F208
TM6
6x51 6.51x51 F272
6x54 6.54x54 F275
6x58 6.58x58 S279
TM7
7x30 7.31x30 L290
7x31 7.32x31 K291
7x34 7.35x34 F294
7x35 7.36x35 D295
7x38 7.39x38 V298
7x42 7.43x42 Y302