S-arrestin - MRGPRX1 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
MRGPRX1 71.2
S-arrestin 78.6
Very high (>90)
Confident (90-70)
Low (70-50)
Very low (<50)
Disordered

PTM Score: 0.6
iPTM Score: 0.4
PAE mean: 20.8


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
Hydrophobic TM6 L 214 6x33 s5s6 I 79 N.s5s6.08
Van-der-waals TM6 L 214 6x33 s5s6 I 79 N.s5s6.08
Polar TM7 R 279 7x60 s5s6 T 82 N.s5s6.11
Hydrophobic TM3 V 124 3x54 s5s6 L 81 N.s5s6.10
Van-der-waals TM3 V 124 3x54 s5s6 L 81 N.s5s6.10
Hydrophobic C-term D 297 - s5s6 E 74 N.s5s6.03
Van-der-waals C-term D 297 - s5s6 E 74 N.s5s6.03
Hydrophobic TM6 P 210 6x29 s9s10 D 166 N.s9s10.08
Van-der-waals TM6 P 210 6x29 s9s10 D 166 N.s9s10.08
Hydrophobic TM2 F 61 2x39 s5s6 I 79 N.s5s6.08
Van-der-waals TM2 F 61 2x39 s5s6 I 79 N.s5s6.08
Polar C-term Q 282 - s9s10 K 170 N.s9s10.12
Hydrophobic TM3 S 123 3x53 S6 F 83 N.S6.01
Van-der-waals TM3 S 123 3x53 S6 F 83 N.S6.01
Ionic C-term E 300 - s17s18 K 304 C.s17s18.20
Polar C-term E 300 - s17s18 K 304 C.s17s18.20
Hydrophobic TM6 L 214 6x33 s5s6 L 81 N.s5s6.10
Van-der-waals TM6 L 214 6x33 s5s6 L 81 N.s5s6.10
Polar ICL2 R 131 34x54 s8s9 S 146 N.s8s9.10
Hydrophobic ICL2 I 128 34x51 S15 V 251 C.S15.14
Van-der-waals ICL2 I 128 34x51 S15 V 251 C.S15.14
Ionic ICL3 R 207 - S6 D 86 N.S6.04
Polar ICL3 R 207 - S6 D 86 N.S6.04
Hydrophobic ICL3 R 207 - S6 D 86 N.S6.04
Van-der-waals ICL3 R 207 - S6 D 86 N.S6.04
Hydrophobic ICL2 I 128 34x51 S16 Y 259 C.S16.03
Van-der-waals ICL2 I 128 34x51 S16 Y 259 C.S16.03
Polar ICL2 R 131 34x54 s8s9 G 144 N.s8s9.08
Hydrophobic ICL2 R 131 34x54 s8s9 G 144 N.s8s9.08
Van-der-waals ICL2 R 131 34x54 s8s9 G 144 N.s8s9.08
Ionic TM7 R 279 7x60 s9s10 D 166 N.s9s10.08
Polar ICL2 P 127 34x50 S5 Y 71 N.S5.12
Hydrophobic ICL2 P 127 34x50 S5 Y 71 N.S5.12
Van-der-waals ICL2 P 127 34x50 S5 Y 71 N.S5.12
Hydrophobic TM2 I 65 2x43 s5s6 V 78 N.s5s6.07
Hydrophobic ICL2 I 128 34x51 S16 D 257 C.S16.01
Van-der-waals ICL2 I 128 34x51 S16 D 257 C.S16.01
Hydrophobic TM7 Y 272 7x53 s5s6 V 78 N.s5s6.07
Van-der-waals TM7 Y 272 7x53 s5s6 V 78 N.s5s6.07
Polar ICL2 R 131 34x54 S5 Y 71 N.S5.12
Aromatic ICL2 R 131 34x54 S5 Y 71 N.S5.12
Hydrophobic ICL2 R 131 34x54 S5 Y 71 N.S5.12
Van-der-waals ICL2 R 131 34x54 S5 Y 71 N.S5.12
Hydrophobic TM2 F 61 2x39 s5s6 V 78 N.s5s6.07
Polar ICL2 C 132 34x55 S16 Y 259 C.S16.03
Hydrophobic ICL2 C 132 34x55 S16 Y 259 C.S16.03
Van-der-waals ICL2 C 132 34x55 S16 Y 259 C.S16.03
Polar C-term D 302 - s20c N 386 C.s20c.05
Van-der-waals C-term D 302 - s20c N 386 C.s20c.05
Hydrophobic TM3 V 124 3x54 S6 F 83 N.S6.01
Van-der-waals TM3 V 124 3x54 S6 F 83 N.S6.01
Polar ICL2 W 129 34x52 S16 D 257 C.S16.01
Hydrophobic ICL2 W 129 34x52 S16 D 257 C.S16.01
Van-der-waals ICL2 W 129 34x52 S16 D 257 C.S16.01
Polar TM7 G 276 7x57 s5s6 V 78 N.s5s6.07
Hydrophobic TM7 G 276 7x57 s5s6 V 78 N.s5s6.07
Van-der-waals TM7 G 276 7x57 s5s6 V 78 N.s5s6.07
Van-der-waals ICL2 R 131 34x54 s5s6 Q 73 N.s5s6.02
Hydrophobic ICL2 I 128 34x51 s15s16 S 255 C.s15s16.04
Van-der-waals ICL2 I 128 34x51 s15s16 S 255 C.s15s16.04
Polar TM2 N 59 2x37 s5s6 D 75 N.s5s6.04
Van-der-waals TM2 N 59 2x37 s5s6 D 75 N.s5s6.04
Hydrophobic C-term L 295 - s5s6 D 75 N.s5s6.04
Van-der-waals C-term L 295 - s5s6 D 75 N.s5s6.04
Ionic C-term D 302 - s17s18 K 304 C.s17s18.20
Polar C-term D 302 - s17s18 K 304 C.s17s18.20
Hydrophobic C-term D 302 - s17s18 K 304 C.s17s18.20
Van-der-waals C-term D 302 - s17s18 K 304 C.s17s18.20
Hydrophobic ICL2 I 128 34x51 s15s16 Y 254 C.s15s16.03
Van-der-waals ICL2 I 128 34x51 s15s16 Y 254 C.s15s16.03
Hydrophobic TM7 G 276 7x57 s5s6 D 77 N.s5s6.06
Van-der-waals TM7 G 276 7x57 s5s6 D 77 N.s5s6.06
Ionic C-term E 300 - s17s18 K 302 C.s17s18.18
Polar C-term E 300 - s17s18 K 302 C.s17s18.18
Van-der-waals C-term E 300 - s17s18 K 302 C.s17s18.18
Hydrophobic ICL3 R 207 - S5 A 68 N.S5.09
Van-der-waals ICL3 R 207 - S5 A 68 N.S5.09
Polar ICL2 R 131 34x54 s8s9 K 145 N.s8s9.09
Hydrophobic ICL2 R 131 34x54 s8s9 K 145 N.s8s9.09
Van-der-waals ICL2 R 131 34x54 s8s9 K 145 N.s8s9.09
Hydrophobic TM3 R 120 3x50 s5s6 I 79 N.s5s6.08
Van-der-waals TM3 R 120 3x50 s5s6 I 79 N.s5s6.08
Polar ICL3 R 207 - S5 F 69 N.S5.10
Hydrophobic ICL2 P 127 34x50 s15s16 Y 254 C.s15s16.03
Van-der-waals ICL2 P 127 34x50 s15s16 Y 254 C.s15s16.03
Hydrophobic C-term A 298 - s8s9 S 143 N.s8s9.07
Van-der-waals C-term A 298 - s8s9 S 143 N.s8s9.07
Polar ICL2 W 129 34x52 s15s16 S 255 C.s15s16.04
Polar ICL2 C 132 34x55 S5 Y 71 N.S5.12
Polar ICL2 R 131 34x54 s5s6 G 72 N.s5s6.01
Hydrophobic ICL2 R 131 34x54 s5s6 G 72 N.s5s6.01
Van-der-waals ICL2 R 131 34x54 s5s6 G 72 N.s5s6.01
Hydrophobic ICL2 C 132 34x55 s8s9 K 145 N.s8s9.09
Van-der-waals ICL2 C 132 34x55 s8s9 K 145 N.s8s9.09
Polar ICL2 I 128 34x51 S5 Y 71 N.S5.12
Hydrophobic ICL2 I 128 34x51 S5 Y 71 N.S5.12
Van-der-waals ICL2 I 128 34x51 S5 Y 71 N.S5.12
Polar ICL3 R 207 - S6 R 84 N.S6.02
Hydrophobic ICL3 R 207 - S6 R 84 N.S6.02
Van-der-waals ICL3 R 207 - S6 R 84 N.S6.02
Polar ICL3 R 207 - S6 R 85 N.S6.03
Hydrophobic ICL3 R 207 - S6 R 85 N.S6.03
Van-der-waals ICL3 R 207 - S6 R 85 N.S6.03
Hydrophobic ICL3 I 209 - S6 R 84 N.S6.02
Van-der-waals ICL3 I 209 - S6 R 84 N.S6.02
Ionic ICL2 H 133 34x56 S16 D 257 C.S16.01
Polar ICL2 H 133 34x56 S16 D 257 C.S16.01
Hydrophobic ICL2 H 133 34x56 S16 D 257 C.S16.01
Van-der-waals ICL2 H 133 34x56 S16 D 257 C.S16.01
Polar ICL3 S 206 - S6 D 86 N.S6.04
Hydrophobic ICL2 R 131 34x54 s5s6 I 76 N.s5s6.05
Van-der-waals ICL2 R 131 34x54 s5s6 I 76 N.s5s6.05