Structure information

CXCR4

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

3OE8

SPECIES

Homo sapiens

RESOLUTION

3.100

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
isothiourea-1t W94 2.60x60 TM2 hydrophobic
isothiourea-1t D97 2.63x63 TM2 polar (charge-assisted hydrogen bond)
isothiourea-1t W102 23.50x50 ECL1 Van der Waals
isothiourea-1t W102 23.50x50 ECL1 hydrophobic
isothiourea-1t V112 3.28x28 TM3 Van der Waals
isothiourea-1t H113 3.29x29 TM3 Van der Waals
isothiourea-1t Y116 3.32x32 TM3 hydrophobic
isothiourea-1t Y116 3.32x32 TM3 Van der Waals
isothiourea-1t C186 45.50x50 ECL2 polar (hydrogen bond with backbone)
isothiourea-1t C186 45.50x50 ECL2 Van der Waals
isothiourea-1t E288 7.39x38 TM7 polar (charge-assisted hydrogen bond)

Ligands

isothiourea-1t

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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
TM2
2x60 2.60x60 W94
2x63 2.63x63 D97
ECL1
23x50 23.50x50 W102
TM3
3x28 3.28x28 V112
3x29 3.29x29 H113
3x32 3.32x32 Y116
ECL2
45x50 45.50x50 C186
TM7
7x38 7.39x38 E288