Beta-arrestin-2 - CXCR6 complex model

GPCR CLASS (FAMILY)

A (Rhodopsin)

SPECIES

Homo sapiens

ARRESTIN FAMILY

Beta

DATE

2025-02-19

3D VIEW

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Tertiary structure confidence

Chain pLDDT score avg
CXCR6 76.1
Beta-arrestin-2 79.5
Very high (>90)
Confident (90-70)
Low (70-50)
Very low (<50)
Disordered

PTM Score: 0.7
iPTM Score: 0.5
PAE mean: 17.4


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
Polar TM6 S 229 6x33 s5s6 L 72 N.s5s6.08
Van-der-waals TM6 S 229 6x33 s5s6 L 72 N.s5s6.08
Hydrophobic TM3 V 131 3x54 s5s6 L 74 N.s5s6.10
Van-der-waals TM3 V 131 3x54 s5s6 L 74 N.s5s6.10
Hydrophobic ICL2 A 134 34x50 S5 Y 64 N.S5.12
Van-der-waals ICL2 A 134 34x50 S5 Y 64 N.S5.12
Hydrophobic C-term M 339 - s19s20 Q 359 C.s19s20.13
Van-der-waals C-term M 339 - s19s20 Q 359 C.s19s20.13
Hydrophobic TM3 V 130 3x53 s5s6 D 68 N.s5s6.04
Van-der-waals TM3 V 130 3x53 s5s6 D 68 N.s5s6.04
Hydrophobic ICL3 G 222 - S6 K 78 N.S6.03
Polar H8 K 294 8x49 s5s6 D 70 N.s5s6.06
Hydrophobic H8 K 294 8x49 s5s6 D 70 N.s5s6.06
Van-der-waals H8 K 294 8x49 s5s6 D 70 N.s5s6.06
Hydrophobic TM2 T 66 2x39 s5s6 V 71 N.s5s6.07
Van-der-waals TM2 T 66 2x39 s5s6 V 71 N.s5s6.07
Hydrophobic ICL2 Y 138 34x54 s17s18 R 286 C.s17s18.11
Polar TM6 S 229 6x33 s5s6 L 74 N.s5s6.10
Hydrophobic TM6 S 229 6x33 s5s6 L 74 N.s5s6.10
Van-der-waals TM6 S 229 6x33 s5s6 L 74 N.s5s6.10
Hydrophobic TM5 I 214 5x61 s5s6 L 72 N.s5s6.08
Polar ICL2 T 135 34x51 s15s16 T 247 C.s15s16.05
Hydrophobic ICL3 G 223 - S6 F 76 N.S6.01
Van-der-waals ICL3 G 223 - S6 F 76 N.S6.01
Aromatic ICL3 F 224 - s15s16 F 245 C.s15s16.03
Hydrophobic ICL3 F 224 - s15s16 F 245 C.s15s16.03
Van-der-waals ICL3 F 224 - s15s16 F 245 C.s15s16.03
Hydrophobic TM6 I 233 6x37 s5s6 L 72 N.s5s6.08
Van-der-waals TM6 I 233 6x37 s5s6 L 72 N.s5s6.08
Polar ICL1 Q 63 12x51 s8s9 E 135 N.s8s9.05
Hydrophobic ICL1 Q 63 12x51 s8s9 E 135 N.s8s9.05
Van-der-waals ICL1 Q 63 12x51 s8s9 E 135 N.s8s9.05
Polar TM3 R 127 3x50 s5s6 V 71 N.s5s6.07
Hydrophobic TM3 R 127 3x50 s5s6 V 71 N.s5s6.07
Van-der-waals TM3 R 127 3x50 s5s6 V 71 N.s5s6.07
Van-der-waals ICL2 Y 138 34x54 s8s9 D 136 N.s8s9.06
Polar ICL2 Y 138 34x54 s17s18 G 287 C.s17s18.12
Hydrophobic ICL2 Y 138 34x54 s17s18 G 287 C.s17s18.12
Van-der-waals ICL2 Y 138 34x54 s17s18 G 287 C.s17s18.12
Hydrophobic TM6 I 232 6x36 s5s6 L 72 N.s5s6.08
Hydrophobic H8 K 297 8x52 s20c Y 404 C.s20c.14
Van-der-waals H8 K 297 8x52 s20c Y 404 C.s20c.14
Hydrophobic TM5 A 221 5x68 s15s16 F 245 C.s15s16.03
Van-der-waals TM5 A 221 5x68 s15s16 F 245 C.s15s16.03
Hydrophobic TM5 T 217 5x64 s15s16 F 245 C.s15s16.03
Hydrophobic TM2 S 64 2x37 s5s6 D 68 N.s5s6.04
Van-der-waals TM2 S 64 2x37 s5s6 D 68 N.s5s6.04
Aromatic ICL2 Y 138 34x54 S16 Y 250 C.S16.03
Hydrophobic ICL2 Y 138 34x54 S16 Y 250 C.S16.03
Van-der-waals ICL2 Y 138 34x54 S16 Y 250 C.S16.03
Polar ICL2 Q 141 34x57 s8s9 E 135 N.s8s9.05
Hydrophobic ICL2 T 135 34x51 S16 A 248 C.S16.01
Van-der-waals ICL2 T 135 34x51 S16 A 248 C.S16.01
Hydrophobic TM3 V 131 3x54 s5s6 L 69 N.s5s6.05
Van-der-waals TM3 V 131 3x54 s5s6 L 69 N.s5s6.05
Hydrophobic ICL3 G 223 - S6 K 78 N.S6.03
Hydrophobic TM5 Y 211 5x58 s5s6 L 72 N.s5s6.08
Polar ICL2 Q 141 34x57 s8s9 D 136 N.s8s9.06
Van-der-waals ICL2 Q 141 34x57 s8s9 D 136 N.s8s9.06
Ionic TM4 R 144 4x38 s5s6 D 68 N.s5s6.04
Polar TM4 R 144 4x38 s5s6 D 68 N.s5s6.04
Van-der-waals TM4 R 144 4x38 s5s6 D 68 N.s5s6.04
Hydrophobic ICL2 N 139 34x55 S16 Y 250 C.S16.03
Van-der-waals ICL2 N 139 34x55 S16 Y 250 C.S16.03
Hydrophobic TM5 A 221 5x68 S6 F 76 N.S6.01
Hydrophobic ICL3 G 223 - S6 R 77 N.S6.02
Van-der-waals ICL3 G 223 - S6 R 77 N.S6.02
Hydrophobic TM3 V 131 3x54 s15s16 F 245 C.s15s16.03
Hydrophobic TM6 I 232 6x36 s5s6 G 73 N.s5s6.09
Hydrophobic H8 S 292 8x47 s5s6 V 71 N.s5s6.07
Polar ICL2 A 134 34x50 s5s6 R 66 N.s5s6.02
Hydrophobic ICL2 A 134 34x50 s5s6 R 66 N.s5s6.02
Van-der-waals ICL2 A 134 34x50 s5s6 R 66 N.s5s6.02
Hydrophobic ICL1 Q 63 12x51 s8s9 T 137 N.s8s9.07
Van-der-waals ICL1 Q 63 12x51 s8s9 T 137 N.s8s9.07
Hydrophobic TM3 V 130 3x53 s5s6 L 69 N.s5s6.05
Van-der-waals TM3 V 130 3x53 s5s6 L 69 N.s5s6.05
Hydrophobic TM5 L 218 5x65 s5s6 L 74 N.s5s6.10
Van-der-waals TM5 L 218 5x65 s5s6 L 74 N.s5s6.10
Ionic H8 K 294 8x49 s5s6 E 67 N.s5s6.03
Polar H8 K 294 8x49 s5s6 E 67 N.s5s6.03
Hydrophobic H8 K 294 8x49 s5s6 E 67 N.s5s6.03
Van-der-waals H8 K 294 8x49 s5s6 E 67 N.s5s6.03
Hydrophobic ICL2 T 135 34x51 S16 Q 249 C.S16.02
Van-der-waals ICL2 T 135 34x51 S16 Q 249 C.S16.02
Polar ICL2 T 135 34x51 S16 Y 250 C.S16.03
Hydrophobic ICL2 T 135 34x51 S16 Y 250 C.S16.03
Van-der-waals ICL2 T 135 34x51 S16 Y 250 C.S16.03
Polar ICL2 Y 138 34x54 s8s9 G 133 N.s8s9.03
Hydrophobic TM5 L 218 5x65 s15s16 F 245 C.s15s16.03
Hydrophobic ICL2 A 134 34x50 s15s16 S 246 C.s15s16.04
Van-der-waals ICL2 A 134 34x50 s15s16 S 246 C.s15s16.04
Aromatic ICL3 F 224 - S6 F 76 N.S6.01
Hydrophobic ICL3 F 224 - S6 F 76 N.S6.01
Van-der-waals ICL3 F 224 - S6 F 76 N.S6.01
Polar H8 S 292 8x47 s5s6 D 70 N.s5s6.06
Hydrophobic H8 S 292 8x47 s5s6 D 70 N.s5s6.06
Van-der-waals H8 S 292 8x47 s5s6 D 70 N.s5s6.06
Hydrophobic TM3 R 127 3x50 s5s6 L 72 N.s5s6.08
Polar H8 K 301 8x56 s20c Y 404 C.s20c.14
Hydrophobic H8 K 301 8x56 s20c Y 404 C.s20c.14
Van-der-waals H8 K 301 8x56 s20c Y 404 C.s20c.14
Hydrophobic ICL3 F 224 - s5s6 L 74 N.s5s6.10
Van-der-waals ICL3 F 224 - s5s6 L 74 N.s5s6.10
Polar H8 L 293 8x48 s5s6 D 70 N.s5s6.06
Hydrophobic H8 L 293 8x48 s5s6 D 70 N.s5s6.06
Van-der-waals H8 L 293 8x48 s5s6 D 70 N.s5s6.06
Ionic H8 K 297 8x52 s20c D 405 C.s20c.15
Polar H8 K 297 8x52 s20c D 405 C.s20c.15
Van-der-waals H8 K 297 8x52 s20c D 405 C.s20c.15
Hydrophobic ICL3 F 224 - s5s6 S 75 N.s5s6.11
Van-der-waals ICL3 F 224 - s5s6 S 75 N.s5s6.11
Polar TM6 S 229 6x33 s5s6 G 73 N.s5s6.09
Hydrophobic TM3 V 131 3x54 s5s6 L 72 N.s5s6.08
Hydrophobic ICL2 Y 138 34x54 s5s6 R 66 N.s5s6.02
Van-der-waals ICL2 Y 138 34x54 s5s6 R 66 N.s5s6.02
Polar ICL2 Y 138 34x54 s8s9 Q 131 N.s8s9.01
Van-der-waals ICL2 Y 138 34x54 s8s9 Q 131 N.s8s9.01
Hydrophobic ICL3 G 222 - S6 F 76 N.S6.01
Van-der-waals ICL3 G 222 - S6 F 76 N.S6.01
Polar ICL2 Q 141 34x57 s17s18 R 286 C.s17s18.11
Van-der-waals ICL2 Q 141 34x57 s17s18 R 286 C.s17s18.11