Structure information

CXCR4

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

4RWS

SPECIES

Homo sapiens

RESOLUTION

3.100

PREFERRED CHAIN

A

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 M24 N-term hydrophobic
vMIP-II K25 N-term polar (hydrogen bond with backbone)
vMIP-II K25 N-term polar (hydrogen bond with backbone)
vMIP-II P27 N-term hydrophobic
vMIP-II C28 N-term polar (hydrogen bond with backbone)
vMIP-II F29 N-term aromatic (face-to-face)
vMIP-II R30 1.24x24 TM1 polar (charge-assisted hydrogen bond)
vMIP-II W94 2.60x60 TM2 hydrophobic
vMIP-II D97 2.63x63 TM2 polar (charge-assisted hydrogen bond)
vMIP-II D97 2.63x63 TM2 polar (charge-charge)
vMIP-II V112 3.28x28 TM3 hydrophobic
vMIP-II A180 ECL2 polar (hydrogen bond with backbone)
vMIP-II D181 ECL2 polar (charge-charge)
vMIP-II C186 45.50x50 ECL2 polar (hydrogen bond with backbone)
vMIP-II C186 45.50x50 ECL2 polar (hydrogen bond with backbone)
vMIP-II C187 45.51x51 ECL2 polar (hydrogen bond)
vMIP-II D262 6.58x58 TM6 polar (charge-assisted hydrogen bond)
vMIP-II D262 6.58x58 TM6 polar (charge-assisted hydrogen bond)
vMIP-II E277 7.28x27 TM7 polar (charge-assisted hydrogen bond)
vMIP-II H281 7.32x31 TM7 polar (hydrogen bond)
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 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 Q 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
TM3
3x28 3.28x28 V112
ECL2
45x50 45.50x50 C186
45x51 45.51x51 D187
TM6
6x58 6.58x58 D262
TM7
7x27 7.28x27 E277
7x31 7.32x31 H281
7x38 7.39x38 E288