PDB
7XAU
Resolution
3.0 Å
Released
Aug. 31, 2022
Receptor
SST2
Class
A
Species
Homo sapiens
Ligand
Function
octreotide
Agonist
Reference
10.1038/S41421-022-00405-2

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Ligand Amino Acid Generic Number Segment Interaction Type
octreotide L99 2.60x60 TM2 hydrophobic
octreotide Q102 2.63x63 TM2 Van der Waals
octreotide D122 3.32x32 TM3 Van der Waals
octreotide Q126 3.36x36 TM3 Van der Waals
octreotide F127 3.37x37 TM3 hydrophobic
octreotide I177 4.60x61 TM4 hydrophobic
octreotide C193 45.50x50 ECL2 Van der Waals
octreotide T194 45.51x51 ECL2 Van der Waals
octreotide Y205 ECL2 hydrophobic
octreotide F208 5.38x39 TM5 hydrophobic
octreotide F208 5.38x39 TM5 aromatic (edge-to-face)
octreotide I209 5.39x40 TM5 hydrophobic
octreotide T212 5.42x43 TM5 hydrophobic
octreotide F272 6.51x51 TM6 Van der Waals
octreotide N276 6.55x55 TM6 polar (hydrogen bond)
octreotide S279 6.58x58 TM6 polar (hydrogen bond)
octreotide V280 6.59x59 TM6 Van der Waals
octreotide I284 ECL3 Van der Waals
octreotide S285 ECL3 Van der Waals
octreotide P286 ECL3 hydrophobic
octreotide T287 7.28x27 TM7 Van der Waals
octreotide L290 7.31x30 TM7 Van der Waals
octreotide F294 7.35x34 TM7 hydrophobic
octreotide V298 7.39x38 TM7 hydrophobic
octreotide 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
TM2
2x60 2.60x60 L99
2x63 2.63x63 Q102
TM3
3x32 3.32x32 D122
3x36 3.36x36 Q126
3x37 3.37x37 F127
TM4
4x61 4.60x61 I177
ECL2
45x50 45.50x50 C193
45x51 45.51x51 T194
TM5
5x39 5.38x39 F208
5x40 5.39x40 I209
5x43 5.42x43 T212
TM6
6x51 6.51x51 F272
6x55 6.55x55 N276
6x58 6.58x58 S279
6x59 6.59x59 V280
TM7
7x27 7.28x27 T287
7x30 7.31x30 L290
7x34 7.35x34 F294
7x38 7.39x38 V298
7x42 7.43x42 Y302