Beta-arrestin-2 - CCR5 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
CCR5 80.8
Beta-arrestin-2 79.6
Very high (>90)
Confident (90-70)
Low (70-50)
Very low (<50)
Disordered

PTM Score: 0.7
iPTM Score: 0.5
PAE mean: 18.2


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
Ionic H8 K 303 8x49 s20c D 406 C.s20c.16
Polar H8 K 303 8x49 s20c D 406 C.s20c.16
Polar ICL2 R 140 34x57 s5s6 R 66 N.s5s6.02
Hydrophobic ICL2 R 140 34x57 s5s6 R 66 N.s5s6.02
Van-der-waals ICL2 R 140 34x57 s5s6 R 66 N.s5s6.02
Polar C-term K 314 - s20c C 409 C.s20c.19
Hydrophobic C-term K 314 - s20c C 409 C.s20c.19
Van-der-waals C-term K 314 - s20c C 409 C.s20c.19
Hydrophobic H8 V 310 8x56 s20c Q 407 C.s20c.17
Van-der-waals H8 V 310 8x56 s20c Q 407 C.s20c.17
Polar H8 E 302 8x48 s5s6 D 70 N.s5s6.06
Hydrophobic H8 E 302 8x48 s5s6 D 70 N.s5s6.06
Hydrophobic TM3 V 130 3x54 s5s6 L 74 N.s5s6.10
Van-der-waals TM3 V 130 3x54 s5s6 L 74 N.s5s6.10
Hydrophobic TM6 I 237 6x37 s5s6 L 72 N.s5s6.08
Hydrophobic TM6 A 233 6x33 s5s6 L 72 N.s5s6.08
Van-der-waals TM6 A 233 6x33 s5s6 L 72 N.s5s6.08
Polar H8 K 303 8x49 s5s6 D 70 N.s5s6.06
Hydrophobic H8 K 303 8x49 s5s6 D 70 N.s5s6.06
Van-der-waals H8 K 303 8x49 s5s6 D 70 N.s5s6.06
Hydrophobic C-term S 337 - S20 D 390 C.S20.05
Van-der-waals C-term S 337 - S20 D 390 C.S20.05
Ionic ICL2 R 140 34x57 s5s6 D 68 N.s5s6.04
Polar ICL2 R 140 34x57 s5s6 D 68 N.s5s6.04
Hydrophobic ICL2 R 140 34x57 s5s6 D 68 N.s5s6.04
Van-der-waals ICL2 R 140 34x57 s5s6 D 68 N.s5s6.04
Hydrophobic ICL2 K 138 34x55 S16 Y 250 C.S16.03
Hydrophobic TM7 Y 297 7x53 s5s6 V 71 N.s5s6.07
Van-der-waals TM7 Y 297 7x53 s5s6 V 71 N.s5s6.07
Hydrophobic ICL2 L 137 34x54 S8 L 130 N.S8.03
Hydrophobic TM3 V 130 3x54 s5s6 L 69 N.s5s6.05
Van-der-waals TM3 V 130 3x54 s5s6 L 69 N.s5s6.05
Hydrophobic H8 G 301 8x47 s5s6 V 71 N.s5s6.07
Polar ICL2 V 134 34x51 S16 Y 250 C.S16.03
Hydrophobic ICL2 V 134 34x51 S16 Y 250 C.S16.03
Van-der-waals ICL2 V 134 34x51 S16 Y 250 C.S16.03
Hydrophobic TM5 I 217 5x61 s5s6 L 74 N.s5s6.10
Polar C-term R 334 - s20c Y 404 C.s20c.14
Aromatic C-term R 334 - s20c Y 404 C.s20c.14
Hydrophobic C-term R 334 - s20c Y 404 C.s20c.14
Van-der-waals C-term R 334 - s20c Y 404 C.s20c.14
Hydrophobic ICL2 V 134 34x51 S15 I 242 C.S15.14
Ionic H8 K 303 8x49 s5s6 E 67 N.s5s6.03
Polar H8 K 303 8x49 s5s6 E 67 N.s5s6.03
Hydrophobic H8 K 303 8x49 s5s6 E 67 N.s5s6.03
Van-der-waals H8 K 303 8x49 s5s6 E 67 N.s5s6.03
Polar ICL2 L 137 34x54 s5s6 R 66 N.s5s6.02
Hydrophobic ICL2 L 137 34x54 s5s6 R 66 N.s5s6.02
Van-der-waals ICL2 L 137 34x54 s5s6 R 66 N.s5s6.02
Hydrophobic TM6 L 236 6x36 s5s6 L 72 N.s5s6.08
Polar H8 Y 307 8x53 s20c D 406 C.s20c.16
Hydrophobic H8 Y 307 8x53 s20c D 406 C.s20c.16
Van-der-waals H8 Y 307 8x53 s20c D 406 C.s20c.16
Ionic C-term R 334 - s20c D 401 C.s20c.11
Polar C-term R 334 - s20c D 401 C.s20c.11
Van-der-waals C-term R 334 - s20c D 401 C.s20c.11
Hydrophobic TM6 L 236 6x36 s5s6 V 71 N.s5s6.07
Van-der-waals TM6 L 236 6x36 s5s6 V 71 N.s5s6.07
Van-der-waals ICL1 K 62 12x51 s8s9 E 135 N.s8s9.05
Hydrophobic ICL1 K 62 12x51 s8s9 T 137 N.s8s9.07
Van-der-waals ICL1 K 62 12x51 s8s9 T 137 N.s8s9.07
Polar TM6 K 229 6x29 s5s6 S 75 N.s5s6.11
Van-der-waals TM6 K 229 6x29 s5s6 S 75 N.s5s6.11
Hydrophobic TM5 T 220 5x64 s15s16 F 245 C.s15s16.03
Van-der-waals TM5 T 220 5x64 s15s16 F 245 C.s15s16.03
Polar TM6 N 226 6x26 S6 R 77 N.S6.02
Polar TM1 C 58 1x60 s20c C 409 C.s20c.19
Hydrophobic TM1 C 58 1x60 s20c C 409 C.s20c.19
Van-der-waals TM1 C 58 1x60 s20c C 409 C.s20c.19
Hydrophobic TM3 A 129 3x53 s5s6 L 69 N.s5s6.05
Van-der-waals TM3 A 129 3x53 s5s6 L 69 N.s5s6.05
Polar TM4 V 142 4x39 s8s9 E 135 N.s8s9.05
Hydrophobic TM4 V 142 4x39 s8s9 E 135 N.s8s9.05
Van-der-waals TM4 V 142 4x39 s8s9 E 135 N.s8s9.05
Hydrophobic TM3 V 130 3x54 s5s6 L 72 N.s5s6.08
Polar ICL2 A 133 34x50 S5 Y 64 N.S5.12
Hydrophobic ICL2 A 133 34x50 S5 Y 64 N.S5.12
Van-der-waals ICL2 A 133 34x50 S5 Y 64 N.S5.12
Hydrophobic ICL2 A 133 34x50 s15s16 F 245 C.s15s16.03
Hydrophobic TM5 L 221 5x65 s5s6 L 74 N.s5s6.10
Van-der-waals TM5 L 221 5x65 s5s6 L 74 N.s5s6.10
Hydrophobic TM6 A 233 6x33 s5s6 L 74 N.s5s6.10
Van-der-waals TM6 A 233 6x33 s5s6 L 74 N.s5s6.10
Hydrophobic ICL2 L 137 34x54 S5 Y 64 N.S5.12
Hydrophobic ICL2 L 137 34x54 s8s9 A 140 N.s8s9.10
Polar TM3 A 129 3x53 S5 Y 64 N.S5.12
Hydrophobic TM3 R 126 3x50 s5s6 V 71 N.s5s6.07
Van-der-waals TM3 R 126 3x50 s5s6 V 71 N.s5s6.07
Hydrophobic H8 F 311 8x57 s20c C 409 C.s20c.19
Polar ICL2 A 136 34x53 s5s6 R 66 N.s5s6.02
Polar TM2 T 65 2x39 s5s6 D 68 N.s5s6.04
Hydrophobic TM2 T 65 2x39 s5s6 D 68 N.s5s6.04
Van-der-waals TM2 T 65 2x39 s5s6 D 68 N.s5s6.04
Polar ICL2 A 133 34x50 s15s16 S 246 C.s15s16.04
Hydrophobic ICL2 A 133 34x50 s15s16 S 246 C.s15s16.04
Van-der-waals ICL2 A 133 34x50 s15s16 S 246 C.s15s16.04
Hydrophobic H8 V 310 8x56 s20c C 409 C.s20c.19
Van-der-waals H8 V 310 8x56 s20c C 409 C.s20c.19
Ionic ICL1 K 62 12x51 s20c D 402 C.s20c.12
Polar ICL1 K 62 12x51 s20c D 402 C.s20c.12
Van-der-waals ICL1 K 62 12x51 s20c D 402 C.s20c.12
Hydrophobic ICL2 V 134 34x51 S16 A 248 C.S16.01
Van-der-waals ICL2 V 134 34x51 S16 A 248 C.S16.01
Polar C-term H 315 - s20c C 409 C.s20c.19
Hydrophobic TM3 V 130 3x54 s15s16 F 245 C.s15s16.03
Van-der-waals TM3 V 130 3x54 s15s16 F 245 C.s15s16.03
Hydrophobic TM3 R 126 3x50 s5s6 L 72 N.s5s6.08
Van-der-waals TM3 R 126 3x50 s5s6 L 72 N.s5s6.08
Ionic ICL1 K 62 12x51 s20c D 405 C.s20c.15
Polar ICL1 K 62 12x51 s20c D 405 C.s20c.15
Polar ICL2 V 134 34x51 s15s16 S 246 C.s15s16.04
Hydrophobic ICL2 V 134 34x51 s15s16 S 246 C.s15s16.04
Hydrophobic TM5 C 224 5x68 S6 F 76 N.S6.01
Van-der-waals TM5 C 224 5x68 S6 F 76 N.S6.01
Polar H8 Y 307 8x53 s20c C 409 C.s20c.19
Hydrophobic H8 Y 307 8x53 s20c C 409 C.s20c.19
Van-der-waals H8 Y 307 8x53 s20c C 409 C.s20c.19
Hydrophobic ICL2 L 137 34x54 S16 Y 250 C.S16.03
Van-der-waals ICL2 L 137 34x54 S16 Y 250 C.S16.03
Ionic ICL1 R 60 12x49 s20c D 405 C.s20c.15
Polar ICL1 R 60 12x49 s20c D 405 C.s20c.15