Structure information

CCR5

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

4MBS

SPECIES

Homo sapiens

RESOLUTION

2.710

PREFERRED CHAIN

A

REFERENCE

10.1126/SCIENCE.1241475

PUBLICATION DATE

Sept. 11, 2013

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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
maraviroc Y37 1.39x39 TM1 Van der Waals
maraviroc Y37 1.39x39 TM1 aromatic (edge-to-face)
maraviroc Y37 1.39x39 TM1 polar (hydrogen bond)
maraviroc W86 2.60x60 TM2 Van der Waals
maraviroc W86 2.60x60 TM2 hydrophobic
maraviroc Y89 2.63x63 TM2 Van der Waals
maraviroc Y108 3.32x32 TM3 aromatic (edge-to-face)
maraviroc Y108 3.32x32 TM3 Van der Waals
maraviroc F109 3.33x33 TM3 Van der Waals
maraviroc F109 3.33x33 TM3 aromatic (face-to-edge)
maraviroc F112 3.36x36 TM3 Van der Waals
maraviroc F112 3.36x36 TM3 aromatic (face-to-edge)
maraviroc F182 ECL2 Van der Waals
maraviroc K191 5.35x36 TM5 Van der Waals
maraviroc Q194 5.38x39 TM5 Van der Waals
maraviroc T195 5.39x40 TM5 polar (hydrogen bond)
maraviroc I198 5.42x43 TM5 Van der Waals
maraviroc I198 5.42x43 TM5 hydrophobic
maraviroc W248 6.48x48 TM6 hydrophobic
maraviroc W248 6.48x48 TM6 Van der Waals
maraviroc Y251 6.51x51 TM6 polar (hydrogen bond)
maraviroc Y251 6.51x51 TM6 Van der Waals
maraviroc L255 6.55x55 TM6 hydrophobic
maraviroc L255 6.55x55 TM6 Van der Waals
maraviroc T259 6.59x59 TM6 polar (hydrogen bond)
maraviroc M279 7.35x34 TM7 Van der Waals
maraviroc E283 7.39x38 TM7 polar (charge-assisted hydrogen bond)
maraviroc T284 7.40x39 TM7 Van der Waals
maraviroc M287 7.43x42 TM7 Van der Waals

Ligands

maraviroc

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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
1x39 1.39x39 Y37
TM2
2x60 2.60x60 W86
2x63 2.63x63 Y89
TM3
3x32 3.32x32 Y108
3x33 3.33x33 F109
3x36 3.36x36 F112
TM5
5x36 5.35x36 K191
5x39 5.38x39 Q194
5x40 5.39x40 T195
5x43 5.42x43 I198
TM6
6x48 6.48x48 W248
6x51 6.51x51 Y251
6x55 6.55x55 L255
6x59 6.59x59 T259
TM7
7x34 7.35x34 M279
7x38 7.39x38 E283
7x39 7.40x39 T284
7x42 7.43x42 M287