Structure information

CXCR4

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

4RWS

SPECIES

Homo sapiens

RESOLUTION

3.100

PREFERRED CHAIN

A

REFERENCE

10.1126/SCIENCE.1261064

PUBLICATION DATE

Feb. 11, 2015

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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
vMIP-II S23 N-term polar (hydrogen bond with backbone)
vMIP-II S23 N-term Van der Waals
vMIP-II M24 N-term Van der Waals
vMIP-II M24 N-term hydrophobic
vMIP-II K25 N-term polar (hydrogen bond with backbone)
vMIP-II K25 N-term Van der Waals
vMIP-II E26 N-term Van der Waals
vMIP-II P27 N-term Van der Waals
vMIP-II P27 N-term hydrophobic
vMIP-II C28 N-term polar (hydrogen bond with backbone)
vMIP-II C28 N-term Van der Waals
vMIP-II F29 N-term aromatic (face-to-face)
vMIP-II F29 N-term Van der Waals
vMIP-II R30 1.24x24 TM1 polar (charge-assisted hydrogen bond)
vMIP-II W94 2.60x60 TM2 Van der Waals
vMIP-II W94 2.60x60 TM2 hydrophobic
vMIP-II D97 2.63x63 TM2 polar (charge-assisted hydrogen bond)
vMIP-II W102 23.50x50 ECL1 Van der Waals
vMIP-II W102 23.50x50 ECL1 hydrophobic
vMIP-II V112 3.28x28 TM3 hydrophobic
vMIP-II V112 3.28x28 TM3 Van der Waals
vMIP-II H113 3.29x29 TM3 Van der Waals
vMIP-II A180 ECL2 polar (hydrogen bond with backbone)
vMIP-II A180 ECL2 Van der Waals
vMIP-II D181 ECL2 polar (charge-assisted hydrogen bond)
vMIP-II C186 45.50x50 ECL2 polar (hydrogen bond with backbone)
vMIP-II C186 45.50x50 ECL2 Van der Waals
vMIP-II C187 45.51x51 ECL2 polar (hydrogen bond)
vMIP-II D262 6.58x58 TM6 polar (charge-assisted hydrogen bond)
vMIP-II C274 7.25x24 TM7 Van der Waals
vMIP-II E277 7.28x27 TM7 polar (charge-assisted hydrogen bond)
vMIP-II H281 7.32x31 TM7 polar (hydrogen bond)
vMIP-II H281 7.32x31 TM7 Van der Waals
vMIP-II S285 7.36x35 TM7 Van der Waals
vMIP-II E288 7.39x38 TM7 polar (charge-assisted hydrogen bond)

Ligands

vMIP-II

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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
TM1
1x24 1.24x24 R30
TM2
2x60 2.60x60 W94
2x63 2.63x63 D97
ECL1
23x50 23.50x50 W102
TM3
3x28 3.28x28 V112
3x29 3.29x29 H113
ECL2
45x50 45.50x50 C186
45x51 45.51x51 D187
TM6
6x58 6.58x58 D262
TM7
7x24 7.25x24 C274
7x27 7.28x27 E277
7x31 7.32x31 H281
7x35 7.36x35 S285
7x38 7.39x38 E288