Structure information

CCR6

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

9D3G

SPECIES

Homo sapiens

RESOLUTION

3.260

PREFERRED CHAIN

A

REFERENCE

PUBLICATION DATE

Sept. 11, 2024

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide F71 1.57x57 TM1 hydrophobic
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide F71 1.57x57 TM1 hydrophobic
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide Y74 ICL1 hydrophobic
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide Y74 ICL1 hydrophobic
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide A77 12.50x50 ICL1 hydrophobic
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide A77 12.50x50 ICL1 hydrophobic
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide S79 2.37x37 TM2 polar (hydrogen bond)
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide S79 2.37x37 TM2 polar (hydrogen bond)
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide D82 2.40x40 TM2 polar (charge-assisted hydrogen bond)
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide D82 2.40x40 TM2 polar (charge-assisted hydrogen bond)
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide L85 2.43x43 TM2 hydrophobic
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide L85 2.43x43 TM2 Van der Waals
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide L85 2.43x43 TM2 hydrophobic
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide L85 2.43x43 TM2 Van der Waals
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide R143 3.50x50 TM3 polar (charge-assisted hydrogen bond)
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide R143 3.50x50 TM3 polar (charge-assisted hydrogen bond)
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide A364 6.33x33 TM6 hydrophobic
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide A364 6.33x33 TM6 hydrophobic
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide A364 6.33x33 TM6 Van der Waals
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide A364 6.33x33 TM6 Van der Waals
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide I368 6.37x37 TM6 hydrophobic
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide I368 6.37x37 TM6 Van der Waals
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide I368 6.37x37 TM6 hydrophobic
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide I368 6.37x37 TM6 Van der Waals
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide Y428 7.53x53 TM7 Van der Waals
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide Y428 7.53x53 TM7 hydrophobic
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide Y428 7.53x53 TM7 hydrophobic
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide Y428 7.53x53 TM7 Van der Waals
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide G432 ICL4 Van der Waals
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide G432 ICL4 Van der Waals
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide K434 8.49x49 H8 Van der Waals
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide K434 8.49x49 H8 Van der Waals
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide F435 8.50x50 H8 polar (hydrogen bond with backbone)
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide F435 8.50x50 H8 Van der Waals
1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide F435 8.50x50 H8 polar (hydrogen bond with backbone)
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide F435 8.50x50 H8 Van der Waals

Ligands

1-(4-chlorophenyl)-N-[[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl]cyclopropane-1-carboxamide

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4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide

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Residue Diagrams

I N G L L G F V C I L S Y A I P V F L R 1 L N M A I A D I L F V L T L P F W A V S 2 C T L L L M G C N F N I A Y I G K L L K 3 S K I I C L V V W G L S V I I S S S T 4 Y C F I M F M L P I F F G F L L E L G L M 5 I A V V L V F L A C Q I P H N M V L L V 6 V P N L C C H L F A L V E T V T K T Y 7
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ICL1 K K A R ICL1ECL1 A W V F ECL1ICL2 A T K S F R L R S R ICL2ECL2 Q K Y N T Q G S D V C E P K Y Q T V S E ECL2ICL3 Q N ICL3ECL3 N R ECL3N-term M S G E S M N F S D V F D S S E D Y F V S V N T S Y Y S V D S E M L L C S L N-termC-term C V R R K Y K S S G F S C A G R Y S E N I S R Q T S E T A D N D N A S S F T M C-term Q E V R Q F S R L F V P I A Y S L I C V F G L L G N I L V V I T F A F Y S M T D V Y L L N M A I A D I L F V L T L P F W A V S H A T G S N A T C K L L K G I Y A I N F N C G M L L L T C I S M D R Y I A I V Q T L P R S K I I C L V V W G L S V I I S S S T F V F N P I R W K L L M L G L E L L F G F F I P L M F M I F C Y T F I V K T L V Q A S K R H K A I R V I I A V V L V F L A C Q I P H N M V L L V T A A N L G K M S C Q S E K L I G Y T K T V T E V L A F L H C C L N P V L Y A F I G Q K F L K L W F R N Y I L K D
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Residue Table


GPCRdb(A)
GPCRdb(A)
CCR6
TM1
1x57 1.57x57 F71
ICL1
12x50 12.50x50 A77
TM2
2x37 2.37x37 S79
2x40 2.40x40 D82
2x43 2.43x43 L85
TM3
3x50 3.50x50 R143
TM6
6x33 6.33x33 A252
6x37 6.37x37 I256
TM7
7x53 7.53x53 Y316
H8
8x49 8.49x49 K322
8x50 8.50x50 F323