S-arrestin - MRGPRX2 complex model

GPCR CLASS (FAMILY)

A (Rhodopsin)

SPECIES

Homo sapiens

ARRESTIN FAMILY

Visual

DATE

2025-02-19

3D VIEW

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Tertiary structure confidence

Chain pLDDT score avg
MRGPRX2 74.0
S-arrestin 78.7
Very high (>90)
Confident (90-70)
Low (70-50)
Very low (<50)
Disordered

PTM Score: 0.6
iPTM Score: 0.4
PAE mean: 21.3


GPCR - Arrestin interface interactions



The biflare plot is a modified version of a flareplot, where lines are drawn between an inner concentric circle (arrestin residues) and an outer concentric circle (GPCR residues) depicting the interface interactions.
Different interaction types are shown with different line types (aromatic - solid, hydrophobic - dashed, ionic - long dashed, polar - dotted, Van der Waals - dash-dot).
The interactive features include filtering on interaction type, segments, residues and backbone or sidechain interactions.


Interaction definitions:

Residue numbering:

GPCR-Arrestin backbone (bb) or sidechain (sc):





Structures

Sequence Color

Arrestin, GPCR
Interaction cut-off: strict (stick), loose (line)

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Interaction
type		 GPCR
Segment
AA
Number		 Generic
number		 Arrestin
segment
AA
Number		 Generic
number
Aromatic ICL2 R 140 34x56 S16 Y 259 C.S16.03
Hydrophobic C-term I 295 - s20c R 398 C.s20c.17
Van-der-waals C-term I 295 - s20c R 398 C.s20c.17
Polar ICL2 P 134 34x50 S5 Y 71 N.S5.12
Hydrophobic ICL2 P 134 34x50 S5 Y 71 N.S5.12
Van-der-waals ICL2 P 134 34x50 S5 Y 71 N.S5.12
Ionic ICL2 R 140 34x56 S16 D 257 C.S16.01
Polar ICL2 R 140 34x56 S16 D 257 C.S16.01
Hydrophobic ICL2 R 140 34x56 S16 D 257 C.S16.01
Van-der-waals ICL2 R 140 34x56 S16 D 257 C.S16.01
Hydrophobic C-term K 287 - s5s6 D 77 N.s5s6.06
Van-der-waals C-term K 287 - s5s6 D 77 N.s5s6.06
Hydrophobic ICL2 R 138 34x54 s5s6 I 76 N.s5s6.05
Hydrophobic ICL2 I 135 34x51 s15s16 Y 254 C.s15s16.03
Hydrophobic ICL2 I 135 34x51 S15 V 251 C.S15.14
Van-der-waals ICL2 I 135 34x51 S15 V 251 C.S15.14
Hydrophobic TM6 T 224 6x36 s5s6 I 79 N.s5s6.08
Van-der-waals TM6 T 224 6x36 s5s6 I 79 N.s5s6.08
Hydrophobic TM7 G 283 7x57 s5s6 D 77 N.s5s6.06
Van-der-waals TM7 G 283 7x57 s5s6 D 77 N.s5s6.06
Hydrophobic TM3 V 131 3x54 s5s6 L 81 N.s5s6.10
Polar ICL2 W 136 34x52 s15s16 S 255 C.s15s16.04
Hydrophobic TM3 R 127 3x50 s5s6 I 79 N.s5s6.08
Van-der-waals TM3 R 127 3x50 s5s6 I 79 N.s5s6.08
Polar ICL2 R 138 34x54 S5 Y 71 N.S5.12
Aromatic ICL2 R 138 34x54 S5 Y 71 N.S5.12
Hydrophobic ICL2 R 138 34x54 S5 Y 71 N.S5.12
Van-der-waals ICL2 R 138 34x54 S5 Y 71 N.S5.12
Polar ICL2 R 138 34x54 s8s9 G 144 N.s8s9.08
Hydrophobic ICL2 R 138 34x54 s8s9 G 144 N.s8s9.08
Van-der-waals ICL2 R 138 34x54 s8s9 G 144 N.s8s9.08
Polar TM2 N 62 2x37 s5s6 Q 73 N.s5s6.02
Polar TM5 R 208 5x64 s15s16 Y 254 C.s15s16.03
Hydrophobic ICL2 C 139 34x55 s8s9 K 145 N.s8s9.09
Hydrophobic TM3 R 127 3x50 s5s6 L 81 N.s5s6.10
Polar C-term L 291 - s20c R 398 C.s20c.17
Ionic C-term K 287 - s5s6 D 75 N.s5s6.04
Polar C-term K 287 - s5s6 D 75 N.s5s6.04
Hydrophobic C-term K 287 - s5s6 D 75 N.s5s6.04
Van-der-waals C-term K 287 - s5s6 D 75 N.s5s6.04
Hydrophobic ICL3 L 216 - s9s10 E 165 N.s9s10.07
Hydrophobic TM3 S 130 3x53 S6 F 83 N.S6.01
Van-der-waals TM3 S 130 3x53 S6 F 83 N.S6.01
Hydrophobic TM3 W 133 3x56 s15s16 S 255 C.s15s16.04
Van-der-waals TM3 W 133 3x56 s15s16 S 255 C.s15s16.04
Polar ICL2 R 138 34x54 s8s9 K 145 N.s8s9.09
Hydrophobic ICL2 R 138 34x54 s8s9 K 145 N.s8s9.09
Van-der-waals ICL2 R 138 34x54 s8s9 K 145 N.s8s9.09
Van-der-waals TM4 R 143 4x39 s17s18 R 295 C.s17s18.11
Hydrophobic C-term P 294 - s20c R 398 C.s20c.17
Polar ICL2 I 135 34x51 S16 Y 259 C.S16.03
Hydrophobic ICL2 I 135 34x51 S16 Y 259 C.S16.03
Van-der-waals ICL2 I 135 34x51 S16 Y 259 C.S16.03
Polar ICL2 R 138 34x54 s8s9 S 146 N.s8s9.10
Hydrophobic TM2 F 64 2x39 s5s6 V 78 N.s5s6.07
Van-der-waals TM2 F 64 2x39 s5s6 V 78 N.s5s6.07
Hydrophobic ICL2 I 135 34x51 S16 D 257 C.S16.01
Van-der-waals ICL2 I 135 34x51 S16 D 257 C.S16.01
Polar ICL2 R 140 34x56 S16 Y 258 C.S16.02
Van-der-waals ICL2 R 140 34x56 S16 Y 258 C.S16.02
Hydrophobic ICL3 L 216 - S6 R 84 N.S6.02
Van-der-waals ICL3 L 216 - S6 R 84 N.S6.02
Hydrophobic ICL2 P 134 34x50 s15s16 Y 254 C.s15s16.03
Van-der-waals ICL2 P 134 34x50 s15s16 Y 254 C.s15s16.03
Ionic TM4 R 143 4x39 s8s9 D 142 N.s8s9.06
Polar TM4 R 143 4x39 s8s9 D 142 N.s8s9.06
Hydrophobic TM4 R 143 4x39 s8s9 D 142 N.s8s9.06
Van-der-waals TM4 R 143 4x39 s8s9 D 142 N.s8s9.06
Hydrophobic TM6 P 217 6x29 s9s10 D 166 N.s9s10.08
Hydrophobic C-term R 290 - s9s10 K 170 N.s9s10.12
Van-der-waals C-term R 290 - s9s10 K 170 N.s9s10.12
Hydrophobic TM7 Y 279 7x53 s5s6 V 78 N.s5s6.07
Van-der-waals TM7 Y 279 7x53 s5s6 V 78 N.s5s6.07
Polar ICL2 C 139 34x55 S16 Y 259 C.S16.03
Hydrophobic ICL2 C 139 34x55 S16 Y 259 C.S16.03
Van-der-waals ICL2 C 139 34x55 S16 Y 259 C.S16.03
Polar ICL2 W 136 34x52 S16 D 257 C.S16.01
Hydrophobic ICL2 W 136 34x52 S16 D 257 C.S16.01
Van-der-waals ICL2 W 136 34x52 S16 D 257 C.S16.01
Ionic C-term K 287 - s5s6 E 74 N.s5s6.03
Polar C-term K 287 - s5s6 E 74 N.s5s6.03
Hydrophobic C-term K 287 - s5s6 E 74 N.s5s6.03
Van-der-waals C-term K 287 - s5s6 E 74 N.s5s6.03
Polar TM4 R 143 4x39 s8s9 Q 141 N.s8s9.05
Van-der-waals TM4 R 143 4x39 s8s9 Q 141 N.s8s9.05
Ionic C-term R 286 - s9s10 D 166 N.s9s10.08
Polar C-term R 286 - s9s10 D 166 N.s9s10.08
Hydrophobic TM3 V 131 3x54 S6 F 83 N.S6.01
Van-der-waals TM3 V 131 3x54 S6 F 83 N.S6.01
Van-der-waals TM3 V 131 3x54 s15s16 Y 254 C.s15s16.03
Hydrophobic TM6 L 221 6x33 s5s6 L 81 N.s5s6.10
Van-der-waals TM6 L 221 6x33 s5s6 L 81 N.s5s6.10
Polar TM5 R 208 5x64 s15s16 L 253 C.s15s16.02
Polar TM7 G 283 7x57 s5s6 V 78 N.s5s6.07
Hydrophobic TM7 G 283 7x57 s5s6 V 78 N.s5s6.07
Van-der-waals TM7 G 283 7x57 s5s6 V 78 N.s5s6.07
Van-der-waals TM3 L 132 3x55 s15s16 Y 254 C.s15s16.03
Polar ICL3 S 213 - S6 D 86 N.S6.04
Polar ICL2 I 135 34x51 s15s16 S 255 C.s15s16.04
Hydrophobic ICL2 I 135 34x51 s15s16 S 255 C.s15s16.04
Van-der-waals ICL2 I 135 34x51 s15s16 S 255 C.s15s16.04
Polar ICL2 R 138 34x54 s5s6 G 72 N.s5s6.01
Hydrophobic ICL2 R 138 34x54 s5s6 G 72 N.s5s6.01
Van-der-waals ICL2 R 138 34x54 s5s6 G 72 N.s5s6.01
Polar ICL2 I 135 34x51 S5 Y 71 N.S5.12
Hydrophobic ICL2 I 135 34x51 S5 Y 71 N.S5.12
Van-der-waals ICL2 I 135 34x51 S5 Y 71 N.S5.12
Hydrophobic ICL3 L 216 - S6 D 86 N.S6.04
Van-der-waals ICL3 L 216 - S6 D 86 N.S6.04
Hydrophobic ICL2 C 139 34x55 S8 L 136 N.S8.03
Van-der-waals ICL2 C 139 34x55 S8 L 136 N.S8.03
Hydrophobic TM2 F 64 2x39 s5s6 I 79 N.s5s6.08
Van-der-waals TM2 F 64 2x39 s5s6 I 79 N.s5s6.08