Beta-arrestin-1 - CXCR5 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
CXCR5 70.8
Beta-arrestin-1 77.8
Very high (>90)
Confident (90-70)
Low (70-50)
Very low (<50)
Disordered

PTM Score: 0.6
iPTM Score: 0.3
PAE mean: 22.4


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)

NGL is a WebGL based 3D viewer powered by MMTF.

Interaction
type		 GPCR
Segment
AA
Number		 Generic
number		 Arrestin
segment
AA
Number		 Generic
number
Hydrophobic ICL2 Y 158 34x54 s8s9 G 137 N.s8s9.08
Van-der-waals ICL2 Y 158 34x54 s8s9 G 137 N.s8s9.08
Ionic ICL3 R 251 - S6 D 78 N.S6.04
Polar ICL3 R 251 - S6 D 78 N.S6.04
Hydrophobic ICL3 R 251 - S6 D 78 N.S6.04
Van-der-waals ICL3 R 251 - S6 D 78 N.S6.04
Hydrophobic ICL2 Y 158 34x54 S16 A 247 C.S16.01
Van-der-waals ICL2 Y 158 34x54 S16 A 247 C.S16.01
Hydrophobic TM3 I 143 3x46 s5s6 L 71 N.s5s6.08
Van-der-waals TM3 I 143 3x46 s5s6 L 71 N.s5s6.08
Polar C-term E 364 - s20c G 409 C.s20c.19
Hydrophobic C-term E 364 - s20c G 409 C.s20c.19
Van-der-waals C-term E 364 - s20c G 409 C.s20c.19
Polar ICL2 V 155 34x51 s15s16 N 245 C.s15s16.04
Hydrophobic ICL2 V 155 34x51 s15s16 N 245 C.s15s16.04
Van-der-waals ICL2 V 155 34x51 s15s16 N 245 C.s15s16.04
Hydrophobic C-term T 367 - S20 D 390 C.S20.05
Van-der-waals C-term T 367 - S20 D 390 C.S20.05
Hydrophobic C-term E 364 - s20c P 413 C.s20c.23
Hydrophobic TM2 E 87 2x40 s5s6 L 68 N.s5s6.05
Van-der-waals TM2 E 87 2x40 s5s6 L 68 N.s5s6.05
Hydrophobic ICL2 Y 158 34x54 S5 Y 63 N.S5.12
Van-der-waals ICL2 Y 158 34x54 S5 Y 63 N.S5.12
Polar ICL2 Y 158 34x54 s15s16 N 245 C.s15s16.04
Hydrophobic ICL2 Y 158 34x54 s15s16 N 245 C.s15s16.04
Van-der-waals ICL2 Y 158 34x54 s15s16 N 245 C.s15s16.04
Hydrophobic TM6 V 258 6x34 s5s6 L 73 N.s5s6.10
Van-der-waals TM6 V 258 6x34 s5s6 L 73 N.s5s6.10
Hydrophobic C-term A 366 - s20c G 411 C.s20c.21
Polar C-term A 366 - s20c S 412 C.s20c.22
Hydrophobic C-term A 366 - s20c S 412 C.s20c.22
Van-der-waals C-term A 366 - s20c S 412 C.s20c.22
Hydrophobic TM3 A 150 3x53 S6 F 75 N.S6.01
Van-der-waals TM3 A 150 3x53 S6 F 75 N.S6.01
Polar ICL2 R 159 34x55 S16 Q 248 C.S16.02
Hydrophobic C-term E 364 - s20c G 411 C.s20c.21
Van-der-waals C-term E 364 - s20c G 411 C.s20c.21
Hydrophobic TM3 I 151 3x54 s5s6 L 73 N.s5s6.10
Hydrophobic TM2 L 90 2x43 s5s6 V 70 N.s5s6.07
Hydrophobic TM3 R 147 3x50 s5s6 L 73 N.s5s6.10
Van-der-waals TM3 R 147 3x50 s5s6 L 73 N.s5s6.10
Hydrophobic TM4 L 163 4x39 s8s9 T 136 N.s8s9.07
Van-der-waals TM4 L 163 4x39 s8s9 T 136 N.s8s9.07
Polar ICL1 T 82 12x50 s5s6 R 65 N.s5s6.02
Hydrophobic ICL1 T 82 12x50 s5s6 R 65 N.s5s6.02
Van-der-waals ICL1 T 82 12x50 s5s6 R 65 N.s5s6.02
Hydrophobic TM6 R 254 6x30 S6 K 77 N.S6.03
Van-der-waals TM6 R 254 6x30 S6 K 77 N.S6.03
Hydrophobic ICL3 R 251 - S5 A 60 N.S5.09
Van-der-waals ICL3 R 251 - S5 A 60 N.S5.09
Hydrophobic TM6 A 261 6x37 s5s6 L 71 N.s5s6.08
Van-der-waals TM6 A 261 6x37 s5s6 L 71 N.s5s6.08
Ionic TM2 E 87 2x40 s5s6 R 65 N.s5s6.02
Hydrophobic ICL2 A 154 34x50 s15s16 F 244 C.s15s16.03
Van-der-waals ICL2 A 154 34x50 s15s16 F 244 C.s15s16.03
Polar ICL2 H 156 34x52 s15s16 N 245 C.s15s16.04
Hydrophobic ICL2 H 156 34x52 s15s16 N 245 C.s15s16.04
Van-der-waals ICL2 H 156 34x52 s15s16 N 245 C.s15s16.04
Hydrophobic ICL2 Y 158 34x54 S15 I 241 C.S15.14
Polar TM4 R 162 4x38 s8s9 T 136 N.s8s9.07
Hydrophobic TM4 R 162 4x38 s8s9 T 136 N.s8s9.07
Hydrophobic TM2 E 87 2x40 s5s6 V 70 N.s5s6.07
Van-der-waals TM2 E 87 2x40 s5s6 V 70 N.s5s6.07
Polar TM6 R 254 6x30 S6 R 76 N.S6.02
Hydrophobic TM6 R 254 6x30 S6 R 76 N.S6.02
Van-der-waals TM6 R 254 6x30 S6 R 76 N.S6.02
Polar ICL2 Y 158 34x54 S16 Y 249 C.S16.03
Aromatic ICL2 Y 158 34x54 S16 Y 249 C.S16.03
Hydrophobic ICL2 Y 158 34x54 S16 Y 249 C.S16.03
Van-der-waals ICL2 Y 158 34x54 S16 Y 249 C.S16.03
Hydrophobic TM3 I 151 3x54 S6 F 75 N.S6.01
Van-der-waals TM3 I 151 3x54 S6 F 75 N.S6.01
Polar C-term S 363 - s1s2 P 14 N.s1s2.02
Hydrophobic C-term S 363 - s1s2 P 14 N.s1s2.02
Van-der-waals C-term S 363 - s1s2 P 14 N.s1s2.02
Polar TM6 V 258 6x34 s5s6 L 71 N.s5s6.08
Hydrophobic H8 F 329 8x50 s5s6 V 70 N.s5s6.07
Polar ICL2 R 161 34x57 s8s9 T 136 N.s8s9.07
Hydrophobic ICL2 R 161 34x57 s8s9 T 136 N.s8s9.07
Van-der-waals ICL2 R 161 34x57 s8s9 T 136 N.s8s9.07
Polar ICL2 V 155 34x51 s15s16 F 244 C.s15s16.03
Hydrophobic ICL2 V 155 34x51 s15s16 F 244 C.s15s16.03
Van-der-waals ICL2 V 155 34x51 s15s16 F 244 C.s15s16.03
Ionic TM3 R 147 3x50 s5s6 D 69 N.s5s6.06
Polar TM3 R 147 3x50 s5s6 D 69 N.s5s6.06
Hydrophobic TM3 R 147 3x50 s5s6 D 69 N.s5s6.06
Van-der-waals TM3 R 147 3x50 s5s6 D 69 N.s5s6.06
Hydrophobic TM6 V 260 6x36 s5s6 L 71 N.s5s6.08
Van-der-waals TM6 V 260 6x36 s5s6 L 71 N.s5s6.08
Polar H8 S 331 8x52 s20c E 405 C.s20c.15
Polar H8 R 335 8x56 s20c K 403 C.s20c.13
Hydrophobic H8 R 335 8x56 s20c K 403 C.s20c.13
Van-der-waals H8 R 335 8x56 s20c K 403 C.s20c.13
Polar ICL2 H 156 34x52 s15s16 T 246 C.s15s16.05
Van-der-waals ICL2 H 156 34x52 s15s16 T 246 C.s15s16.05
Polar C-term E 364 - s20c S 412 C.s20c.22
Hydrophobic C-term E 364 - s20c S 412 C.s20c.22
Van-der-waals C-term E 364 - s20c S 412 C.s20c.22
Hydrophobic C-term E 362 - s20c G 409 C.s20c.19
Van-der-waals C-term E 362 - s20c G 409 C.s20c.19
Polar C-term S 361 - s9s10 R 161 N.s9s10.13
Hydrophobic C-term S 361 - s9s10 R 161 N.s9s10.13
Van-der-waals C-term S 361 - s9s10 R 161 N.s9s10.13
Ionic H8 K 328 8x49 s5s6 D 67 N.s5s6.04
Polar H8 K 328 8x49 s5s6 D 67 N.s5s6.04
Hydrophobic H8 K 328 8x49 s5s6 D 67 N.s5s6.04
Van-der-waals H8 K 328 8x49 s5s6 D 67 N.s5s6.04
Polar ICL3 R 251 - S5 T 58 N.S5.07
Hydrophobic ICL3 R 251 - S5 T 58 N.S5.07
Van-der-waals ICL3 R 251 - S5 T 58 N.S5.07
Polar C-term N 365 - S1 A 12 N.S1.05
Van-der-waals C-term N 365 - S1 A 12 N.S1.05
Polar H8 K 328 8x49 s5s6 L 68 N.s5s6.05
Hydrophobic H8 K 328 8x49 s5s6 L 68 N.s5s6.05
Van-der-waals H8 K 328 8x49 s5s6 L 68 N.s5s6.05
Polar TM6 R 254 6x30 s5s6 T 74 N.s5s6.11
Hydrophobic TM6 R 254 6x30 s5s6 T 74 N.s5s6.11
Van-der-waals TM6 R 254 6x30 s5s6 T 74 N.s5s6.11
Hydrophobic TM6 R 254 6x30 s15s16 F 244 C.s15s16.03
Van-der-waals TM6 R 254 6x30 s15s16 F 244 C.s15s16.03
Polar TM6 R 254 6x30 S6 F 75 N.S6.01
Hydrophobic TM6 R 254 6x30 S6 F 75 N.S6.01
Van-der-waals TM6 R 254 6x30 S6 F 75 N.S6.01
Hydrophobic TM4 I 166 4x42 s8s9 T 136 N.s8s9.07
Van-der-waals TM2 S 84 2x37 s5s6 R 65 N.s5s6.02
Hydrophobic H8 G 326 8x47 s5s6 V 70 N.s5s6.07
Van-der-waals H8 G 326 8x47 s5s6 V 70 N.s5s6.07
Polar ICL2 Y 158 34x54 s8s9 K 138 N.s8s9.09
Van-der-waals ICL2 Y 158 34x54 s8s9 K 138 N.s8s9.09
Polar C-term S 363 - s20c T 410 C.s20c.20
Hydrophobic C-term S 363 - s20c T 410 C.s20c.20
Van-der-waals C-term S 363 - s20c T 410 C.s20c.20
Hydrophobic TM6 A 257 6x33 s5s6 L 71 N.s5s6.08
Van-der-waals TM6 A 257 6x33 s5s6 L 71 N.s5s6.08
Polar ICL2 A 154 34x50 s15s16 N 245 C.s15s16.04
Hydrophobic ICL2 A 154 34x50 s15s16 N 245 C.s15s16.04
Van-der-waals ICL2 A 154 34x50 s15s16 N 245 C.s15s16.04
Polar ICL1 R 83 12x51 s5s6 R 65 N.s5s6.02
Hydrophobic ICL1 R 83 12x51 s5s6 R 65 N.s5s6.02
Van-der-waals ICL1 R 83 12x51 s5s6 R 65 N.s5s6.02
Polar C-term A 366 - s20c T 410 C.s20c.20
Hydrophobic C-term A 366 - s20c T 410 C.s20c.20
Van-der-waals C-term A 366 - s20c T 410 C.s20c.20
Polar ICL2 V 155 34x51 s15s16 T 246 C.s15s16.05
Hydrophobic ICL2 V 155 34x51 s15s16 T 246 C.s15s16.05
Van-der-waals ICL2 V 155 34x51 s15s16 T 246 C.s15s16.05
Hydrophobic TM2 T 86 2x39 s5s6 L 71 N.s5s6.08
Van-der-waals TM2 T 86 2x39 s5s6 L 71 N.s5s6.08
Hydrophobic TM6 A 257 6x33 s5s6 G 72 N.s5s6.09
Van-der-waals TM6 A 257 6x33 s5s6 G 72 N.s5s6.09
Hydrophobic ICL3 R 251 - S6 R 76 N.S6.02
Van-der-waals ICL3 R 251 - S6 R 76 N.S6.02
Hydrophobic C-term E 364 - s20c T 410 C.s20c.20
Van-der-waals C-term E 364 - s20c T 410 C.s20c.20
Hydrophobic TM2 S 84 2x37 s5s6 L 68 N.s5s6.05
Van-der-waals TM2 S 84 2x37 s5s6 L 68 N.s5s6.05
Polar C-term N 365 - s20c T 410 C.s20c.20
Hydrophobic C-term N 365 - s20c T 410 C.s20c.20
Van-der-waals C-term N 365 - s20c T 410 C.s20c.20
Polar TM3 R 147 3x50 s5s6 L 71 N.s5s6.08
Hydrophobic TM3 R 147 3x50 s5s6 L 71 N.s5s6.08
Van-der-waals TM3 R 147 3x50 s5s6 L 71 N.s5s6.08
Hydrophobic TM6 A 257 6x33 s5s6 L 73 N.s5s6.10
Van-der-waals TM6 A 257 6x33 s5s6 L 73 N.s5s6.10
Polar C-term S 363 - s20c G 409 C.s20c.19
Hydrophobic C-term S 363 - s20c G 409 C.s20c.19
Van-der-waals C-term S 363 - s20c G 409 C.s20c.19
Polar ICL2 A 157 34x53 s15s16 N 245 C.s15s16.04
Hydrophobic ICL2 A 157 34x53 s15s16 N 245 C.s15s16.04
Van-der-waals ICL2 A 157 34x53 s15s16 N 245 C.s15s16.04