Structure information

ACKR3

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

7SK3

SPECIES

Homo sapiens

RESOLUTION

3.800

PREFERRED CHAIN

A

REFERENCE

10.1126/SCIADV.ABN8063

PUBLICATION DATE

July 27, 2022

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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
CXCL12α I27 N-term polar (hydrogen bond)
CXCL12α V28 N-term polar (hydrogen bond with backbone)
CXCL12α V28 N-term polar (hydrogen bond)
CXCL12α V29 N-term Van der Waals
CXCL12α V29 N-term hydrophobic
CXCL12α D30 N-term polar (hydrogen bond with backbone)
CXCL12α D30 N-term polar (charge-assisted hydrogen bond)
CXCL12α T31 N-term polar (hydrogen bond)
CXCL12α V32 N-term polar (hydrogen bond with backbone)
CXCL12α V32 N-term polar (hydrogen bond)
CXCL12α M33 N-term polar (hydrogen bond)
CXCL12α C34 N-term polar (hydrogen bond with backbone)
CXCL12α C34 N-term polar (hydrogen bond)
CXCL12α M37 N-term Van der Waals
CXCL12α W100 2.60x60 TM2 hydrophobic
CXCL12α W100 2.60x60 TM2 Van der Waals
CXCL12α S103 2.63x63 TM2 polar (hydrogen bond)
CXCL12α N108 ECL1 polar (hydrogen bond)
CXCL12α W110 23.50x50 ECL1 Van der Waals
CXCL12α C117 3.25x25 TM3 polar (hydrogen bond)
CXCL12α C117 3.25x25 TM3 polar (hydrogen bond with backbone)
CXCL12α H121 3.29x29 TM3 polar (hydrogen bond)
CXCL12α F124 3.32x32 TM3 Van der Waals
CXCL12α D179 4.60x61 TM4 Van der Waals
CXCL12α L183 4.64x65 TM4 Van der Waals
CXCL12α S188 ECL2 polar (hydrogen bond)
CXCL12α S188 ECL2 polar (hydrogen bond)
CXCL12α S190 ECL2 Van der Waals
CXCL12α N191 ECL2 polar (hydrogen bond)
CXCL12α N191 ECL2 polar (hydrogen bond)
CXCL12α Y195 ECL2 aromatic (face-to-edge)
CXCL12α Y195 ECL2 Van der Waals
CXCL12α C196 45.50x50 ECL2 Van der Waals
CXCL12α C196 45.50x50 ECL2 polar (hydrogen bond with backbone)
CXCL12α R197 45.51x51 ECL2 polar (charge-assisted hydrogen bond)
CXCL12α S198 45.52x52 ECL2 polar (hydrogen bond)
CXCL12α Y200 ECL2 polar (hydrogen bond)
CXCL12α Y200 ECL2 polar (charge-assisted hydrogen bond)
CXCL12α I205 5.31x32 TM5 polar (hydrogen bond)
CXCL12α K206 5.32x33 TM5 Van der Waals
CXCL12α L209 5.35x36 TM5 Van der Waals
CXCL12α E213 5.39x40 TM5 Van der Waals
CXCL12α Y268 6.51x51 TM6 polar (hydrogen bond)
CXCL12α Y268 6.51x51 TM6 polar (hydrogen bond)
CXCL12α D275 6.58x58 TM6 polar (charge-charge)
CXCL12α D275 6.58x58 TM6 polar (charge-assisted hydrogen bond)
CXCL12α I279 6.62x62 TM6 polar (hydrogen bond with backbone)
CXCL12α I279 6.62x62 TM6 polar (hydrogen bond)
CXCL12α L280 6.63x63 TM6 polar (hydrogen bond)
CXCL12α L280 6.63x63 TM6 polar (hydrogen bond with backbone)
CXCL12α H281 6.64x64 TM6 polar (hydrogen bond)
CXCL12α H281 6.64x64 TM6 polar (hydrogen bond)
CXCL12α Y282 ECL3 polar (charge-assisted hydrogen bond)
CXCL12α Y282 ECL3 polar (hydrogen bond)
CXCL12α F285 ECL3 Van der Waals
CXCL12α F285 ECL3 hydrophobic
CXCL12α E290 7.28x27 TM7 polar (charge-assisted hydrogen bond)
CXCL12α L297 7.35x34 TM7 polar (hydrogen bond with backbone)
CXCL12α L297 7.35x34 TM7 polar (charge-assisted hydrogen bond)
CXCL12α L297 7.35x34 TM7 polar (hydrogen bond)
CXCL12α H298 7.36x35 TM7 polar (hydrogen bond)
CXCL12α Q301 7.39x38 TM7 polar (hydrogen bond)

Ligands

CXCL12α

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Residue Diagrams

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


GPCRdb(A)
GPCRdb(A)
ACKR3
TM2
2x60 2.60x60 W100
2x63 2.63x63 S103
ECL1
23x50 23.50x50 W110
TM3
3x25 3.25x25 C117
3x29 3.29x29 H121
3x32 3.32x32 F124
TM4
4x61 4.60x61 D179
4x65 4.64x65 L183
ECL2
45x50 45.50x50 C196
45x51 45.51x51 R197
45x52 45.52x52 S198
TM5
5x32 5.31x32 I205
5x33 5.32x33 K206
5x36 5.35x36 L209
5x40 5.39x40 E213
TM6
6x51 6.51x51 Y268
6x58 6.58x58 D275
6x62 6.62x62 I279
6x63 6.63x63 L280
6x64 6.64x64 H281
TM7
7x27 7.28x27 E290
7x34 7.35x34 L297
7x35 7.36x35 H298
7x38 7.39x38 Q301