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

NGL is a WebGL based 3D viewer powered by MMTF.

Download PDB file

Ligand Interaction Browser

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

Ligands

viral macrophage inflammatory protein-II

3D interaction viewer Download PDB file

NGL is a WebGL based 3D viewer powered by MMTF.


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
Download: PNG | SVG
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
Download: PNG | SVG

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