Structure information

CCR5

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

7F1T

SPECIES

Homo sapiens

RESOLUTION

2.600

PREFERRED CHAIN

A

REFERENCE

PUBLICATION DATE

July 14, 2021

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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
CCL3 P8 N-term polar (hydrogen bond)
CCL3 P8 N-term polar (hydrogen bond with backbone)
CCL3 I9 N-term polar (hydrogen bond)
CCL3 Y10 N-term polar (hydrogen bond with backbone)
CCL3 Y10 N-term aromatic (edge-to-face)
CCL3 Y10 N-term polar (hydrogen bond)
CCL3 D11 N-term Van der Waals
CCL3 I12 N-term hydrophobic
CCL3 I12 N-term Van der Waals
CCL3 N13 N-term polar (hydrogen bond)
CCL3 Y15 N-term polar (hydrogen bond with backbone)
CCL3 Y15 N-term polar (hydrogen bond)
CCL3 C16 N-term polar (hydrogen bond)
CCL3 S17 N-term polar (hydrogen bond)
CCL3 S17 N-term polar (hydrogen bond with backbone)
CCL3 S17 N-term polar (hydrogen bond)
CCL3 E18 N-term polar (charge-assisted hydrogen bond)
CCL3 P19 N-term polar (hydrogen bond)
CCL3 C20 N-term polar (hydrogen bond)
CCL3 C20 N-term polar (hydrogen bond with backbone)
CCL3 Q21 N-term polar (hydrogen bond)
CCL3 Q21 N-term polar (hydrogen bond)
CCL3 K22 1.24x24 TM1 polar (charge-assisted hydrogen bond)
CCL3 K22 1.24x24 TM1 polar (hydrogen bond with backbone)
CCL3 V25 1.27x27 TM1 Van der Waals
CCL3 K26 1.28x28 TM1 polar (charge-assisted hydrogen bond)
CCL3 W86 2.60x60 TM2 polar (hydrogen bond)
CCL3 Y89 2.63x63 TM2 polar (hydrogen bond)
CCL3 Y108 3.32x32 TM3 Van der Waals
CCL3 F109 3.33x33 TM3 Van der Waals
CCL3 R168 ECL2 polar (charge-assisted hydrogen bond)
CCL3 Q170 ECL2 polar (hydrogen bond)
CCL3 Q170 ECL2 polar (hydrogen bond)
CCL3 K171 ECL2 polar (charge-assisted hydrogen bond)
CCL3 K171 ECL2 polar (hydrogen bond with backbone)
CCL3 E172 ECL2 polar (charge-assisted hydrogen bond)
CCL3 G173 ECL2 polar (hydrogen bond with backbone)
CCL3 G173 ECL2 Van der Waals
CCL3 T177 ECL2 Van der Waals
CCL3 C178 45.50x50 ECL2 Van der Waals
CCL3 C178 45.50x50 ECL2 polar (hydrogen bond with backbone)
CCL3 S179 45.51x51 ECL2 polar (hydrogen bond)
CCL3 S180 45.52x52 ECL2 polar (hydrogen bond)
CCL3 S180 45.52x52 ECL2 polar (hydrogen bond)
CCL3 S180 45.52x52 ECL2 polar (hydrogen bond with backbone)
CCL3 H181 ECL2 polar (hydrogen bond)
CCL3 H181 ECL2 polar (hydrogen bond with backbone)
CCL3 H181 ECL2 polar (hydrogen bond)
CCL3 F182 ECL2 Van der Waals
CCL3 F182 ECL2 hydrophobic
CCL3 Y184 ECL2 polar (hydrogen bond)
CCL3 Y187 5.31x32 TM5 polar (hydrogen bond)
CCL3 Y187 5.31x32 TM5 polar (hydrogen bond)
CCL3 Q188 5.32x33 TM5 polar (hydrogen bond)
CCL3 K191 5.35x36 TM5 polar (charge-assisted hydrogen bond)
CCL3 N258 6.58x58 TM6 Van der Waals
CCL3 Q261 6.61x61 TM6 polar (hydrogen bond)
CCL3 Q261 6.61x61 TM6 polar (hydrogen bond)
CCL3 N267 ECL3 polar (hydrogen bond)
CCL3 N267 ECL3 polar (hydrogen bond with backbone)
CCL3 N268 7.24x23 TM7 polar (hydrogen bond with backbone)
CCL3 N268 7.24x23 TM7 Van der Waals
CCL3 C269 7.25x24 TM7 hydrophobic
CCL3 C269 7.25x24 TM7 Van der Waals
CCL3 S272 7.28x27 TM7 polar (hydrogen bond)
CCL3 D276 7.32x31 TM7 polar (charge-assisted hydrogen bond)
CCL3 M279 7.35x34 TM7 Van der Waals
CCL3 Q280 7.36x35 TM7 polar (hydrogen bond)
CCL3 Q280 7.36x35 TM7 polar (hydrogen bond)
CCL3 E283 7.39x38 TM7 polar (charge-assisted hydrogen bond)

Ligands

CCL3

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Residue Diagrams

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


GPCRdb(A)
GPCRdb(A)
CCR5
TM1
1x24 1.24x24 K22
1x27 1.27x27 V25
1x28 1.28x28 K26
TM2
2x60 2.60x60 W86
2x63 2.63x63 Y89
TM3
3x32 3.32x32 Y108
3x33 3.33x33 F109
ECL2
45x50 45.50x50 C178
45x51 45.51x51 S179
45x52 45.52x52 S180
TM5
5x32 5.31x32 Y187
5x33 5.32x33 Q188
5x36 5.35x36 K191
TM6
6x58 6.58x58 N258
6x61 6.61x61 Q261
TM7
7x23 7.24x23 N268
7x24 7.25x24 C269
7x27 7.28x27 S272
7x31 7.32x31 D276
7x34 7.35x34 M279
7x35 7.36x35 Q280
7x38 7.39x38 E283