PDB
6QZH
Resolution
2.1 Å
Released
Sept. 4, 2019
Receptor
CCR7
Class
A
Species
Homo sapiens
Ligand
CHEMBL5433301
Function
Allosteric antagonist
Reference
10.1016/J.CELL.2019.07.028

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL5433301 V79 1.53x53 TM1 hydrophobic
CHEMBL5433301 Y83 1.57x57 TM1 hydrophobic
CHEMBL5433301 F86 ICL1 hydrophobic
CHEMBL5433301 T91 2.37x37 TM2 polar (hydrogen bond)
CHEMBL5433301 T91 2.37x37 TM2 Van der Waals
CHEMBL5433301 T93 2.39x39 TM2 Van der Waals
CHEMBL5433301 T93 2.39x39 TM2 polar (hydrogen bond)
CHEMBL5433301 D94 2.40x40 TM2 polar (charge-assisted hydrogen bond)
CHEMBL5433301 L97 2.43x43 TM2 hydrophobic
CHEMBL5433301 L97 2.43x43 TM2 Van der Waals
CHEMBL5433301 R154 3.50x50 TM3 Van der Waals
CHEMBL5433301 I262 ICL3 hydrophobic
CHEMBL5433301 I262 ICL3 Van der Waals
CHEMBL5433301 Y326 7.53x53 TM7 polar (hydrogen bond with backbone)
CHEMBL5433301 Y326 7.53x53 TM7 Van der Waals
CHEMBL5433301 G330 ICL4 Van der Waals
CHEMBL5433301 V331 ICL4 polar (hydrogen bond with backbone)
CHEMBL5433301 V331 ICL4 Van der Waals
CHEMBL5433301 K332 8.49x49 H8 polar (hydrogen bond with backbone)
CHEMBL5433301 K332 8.49x49 H8 Van der Waals
CHEMBL5433301 F333 8.50x50 H8 polar (hydrogen bond with backbone)
CHEMBL5433301 F333 8.50x50 H8 Van der Waals
CHEMBL5433301 D336 8.53x53 H8 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
CCR7
TM1
1x53 1.53x53 V79
1x57 1.57x57 Y83
TM2
2x37 2.37x37 T91
2x39 2.39x39 T93
2x40 2.40x40 D94
2x43 2.43x43 L97
TM3
3x50 3.50x50 R154
TM7
7x53 7.53x53 Y326
H8
8x49 8.49x49 K332
8x50 8.50x50 F333
8x53 8.53x53 D336