Structure information

CXCR4

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

3OE0

SPECIES

Homo sapiens

RESOLUTION

2.900

PREFERRED CHAIN

A

REFERENCE

10.1126/SCIENCE.1194396

PUBLICATION DATE

Oct. 27, 2010

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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
CVX15 P27 N-term hydrophobic
CVX15 H113 3.29x29 TM3 polar (hydrogen bond)
CVX15 Y116 3.32x32 TM3 hydrophobic
CVX15 Y116 3.32x32 TM3 Van der Waals
CVX15 T117 3.33x33 TM3 polar (hydrogen bond)
CVX15 D171 4.60x61 TM4 polar (charge-assisted hydrogen bond)
CVX15 S178 ECL2 Van der Waals
CVX15 D187 45.51x51 ECL2 polar (charge-assisted hydrogen bond)
CVX15 R188 45.52x52 ECL2 polar (hydrogen bond with backbone)
CVX15 R188 45.52x52 ECL2 polar (charge-assisted hydrogen bond)
CVX15 F189 ECL2 Van der Waals
CVX15 F189 ECL2 hydrophobic
CVX15 Y190 ECL2 polar (hydrogen bond with backbone)
CVX15 Y190 ECL2 Van der Waals
CVX15 P191 ECL2 Van der Waals
CVX15 N192 ECL2 Van der Waals
CVX15 D193 5.32x33 TM5 polar (charge-assisted hydrogen bond)
CVX15 V196 5.35x36 TM5 hydrophobic
CVX15 V196 5.35x36 TM5 Van der Waals
CVX15 F199 5.38x39 TM5 Van der Waals
CVX15 F199 5.38x39 TM5 hydrophobic
CVX15 Q200 5.39x40 TM5 Van der Waals
CVX15 Y255 6.51x51 TM6 polar (hydrogen bond)
CVX15 D262 6.58x58 TM6 polar (charge-assisted hydrogen bond)
CVX15 L266 6.62x62 TM6 hydrophobic
CVX15 L266 6.62x62 TM6 Van der Waals
CVX15 E277 7.28x27 TM7 Van der Waals
CVX15 H281 7.32x31 TM7 polar (hydrogen bond)
CVX15 H281 7.32x31 TM7 Van der Waals
CVX15 I284 7.35x34 TM7 hydrophobic
CVX15 I284 7.35x34 TM7 Van der Waals
CVX15 S285 7.36x35 TM7 Van der Waals
CVX15 E288 7.39x38 TM7 polar (charge-assisted hydrogen bond)

Ligands

CVX15

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Residue Diagrams

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


GPCRdb(A)
GPCRdb(A)
CXCR4
TM3
3x29 3.29x29 H113
3x32 3.32x32 Y116
3x33 3.33x33 T117
TM4
4x61 4.60x61 D171
ECL2
45x51 45.51x51 D187
45x52 45.52x52 R188
TM5
5x33 5.32x33 D193
5x36 5.35x36 V196
5x39 5.38x39 F199
5x40 5.39x40 Q200
TM6
6x51 6.51x51 Y255
6x58 6.58x58 D262
6x62 6.62x62 L266
TM7
7x27 7.28x27 E277
7x31 7.32x31 H281
7x34 7.35x34 I284
7x35 7.36x35 S285
7x38 7.39x38 E288