S-arrestin - CXCR4 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
CXCR4 76.1
S-arrestin 78.8
Very high (>90)
Confident (90-70)
Low (70-50)
Very low (<50)
Disordered

PTM Score: 0.6
iPTM Score: 0.3
PAE mean: 21.7


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 TM3 I 138 3x54 s15s16 Y 254 C.s15s16.03
Van-der-waals TM3 I 138 3x54 s15s16 Y 254 C.s15s16.03
Polar ICL2 T 142 34x51 S16 D 257 C.S16.01
Hydrophobic ICL2 T 142 34x51 S16 D 257 C.S16.01
Van-der-waals ICL2 T 142 34x51 S16 D 257 C.S16.01
Polar ICL2 Q 145 34x54 s8s9 K 145 N.s8s9.09
Hydrophobic ICL2 Q 145 34x54 s8s9 K 145 N.s8s9.09
Van-der-waals ICL2 Q 145 34x54 s8s9 K 145 N.s8s9.09
Polar H8 A 307 8x48 s5s6 D 77 N.s5s6.06
Hydrophobic H8 A 307 8x48 s5s6 D 77 N.s5s6.06
Van-der-waals H8 A 307 8x48 s5s6 D 77 N.s5s6.06
Polar TM6 T 240 6x36 s5s6 I 79 N.s5s6.08
Hydrophobic TM6 T 240 6x36 s5s6 I 79 N.s5s6.08
Van-der-waals TM6 T 240 6x36 s5s6 I 79 N.s5s6.08
Polar ICL2 T 142 34x51 S15 V 251 C.S15.14
Hydrophobic ICL2 T 142 34x51 S15 V 251 C.S15.14
Van-der-waals ICL2 T 142 34x51 S15 V 251 C.S15.14
Polar TM3 H 140 3x56 s15s16 Y 254 C.s15s16.03
Hydrophobic TM3 H 140 3x56 s15s16 Y 254 C.s15s16.03
Van-der-waals TM3 H 140 3x56 s15s16 Y 254 C.s15s16.03
Hydrophobic ICL2 T 142 34x51 s15s16 Y 254 C.s15s16.03
Polar ICL2 A 141 34x50 s15s16 Y 254 C.s15s16.03
Hydrophobic ICL2 A 141 34x50 s15s16 Y 254 C.s15s16.03
Van-der-waals ICL2 A 141 34x50 s15s16 Y 254 C.s15s16.03
Polar TM3 R 134 3x50 s5s6 V 78 N.s5s6.07
Hydrophobic TM3 R 134 3x50 s5s6 V 78 N.s5s6.07
Van-der-waals TM3 R 134 3x50 s5s6 V 78 N.s5s6.07
Polar ICL3 Q 233 - s5s6 T 82 N.s5s6.11
Hydrophobic ICL3 Q 233 - s5s6 T 82 N.s5s6.11
Van-der-waals ICL3 Q 233 - s5s6 T 82 N.s5s6.11
Hydrophobic ICL3 H 232 - s9s10 E 164 N.s9s10.06
Van-der-waals ICL3 H 232 - s9s10 E 164 N.s9s10.06
Ionic H8 K 308 8x49 s5s6 D 75 N.s5s6.04
Polar H8 K 308 8x49 s5s6 D 75 N.s5s6.04
Hydrophobic H8 K 308 8x49 s5s6 D 75 N.s5s6.04
Van-der-waals H8 K 308 8x49 s5s6 D 75 N.s5s6.04
Hydrophobic TM3 V 139 3x55 s15s16 Y 254 C.s15s16.03
Van-der-waals TM3 V 139 3x55 s15s16 Y 254 C.s15s16.03
Hydrophobic TM7 Y 302 7x53 s5s6 I 79 N.s5s6.08
Van-der-waals TM7 Y 302 7x53 s5s6 I 79 N.s5s6.08
Polar ICL3 G 231 - S6 D 86 N.S6.04
Hydrophobic ICL3 G 231 - S6 D 86 N.S6.04
Van-der-waals ICL3 G 231 - S6 D 86 N.S6.04
Polar H8 K 308 8x49 s5s6 Q 73 N.s5s6.02
Van-der-waals H8 K 308 8x49 s5s6 Q 73 N.s5s6.02
Hydrophobic ICL3 Q 233 - S6 R 84 N.S6.02
Van-der-waals ICL3 Q 233 - S6 R 84 N.S6.02
Van-der-waals H8 G 306 8x47 s5s6 D 77 N.s5s6.06
Hydrophobic TM6 K 236 6x32 s5s6 G 80 N.s5s6.09
Hydrophobic ICL2 T 142 34x51 s15s16 S 256 C.s15s16.05
Hydrophobic TM3 I 138 3x54 S6 F 83 N.S6.01
Van-der-waals TM3 I 138 3x54 S6 F 83 N.S6.01
Hydrophobic TM3 A 137 3x53 S6 F 83 N.S6.01
Van-der-waals TM3 A 137 3x53 S6 F 83 N.S6.01
Polar ICL2 N 143 34x52 s15s16 S 255 C.s15s16.04
Van-der-waals ICL2 N 143 34x52 s15s16 S 255 C.s15s16.04
Hydrophobic TM5 S 229 5x68 S6 R 85 N.S6.03
Van-der-waals TM5 S 229 5x68 S6 R 85 N.S6.03
Hydrophobic TM3 R 134 3x50 s5s6 L 81 N.s5s6.10
Ionic TM6 R 235 6x31 s9s10 E 164 N.s9s10.06
Polar TM6 R 235 6x31 s9s10 E 164 N.s9s10.06
Van-der-waals TM6 R 235 6x31 s9s10 E 164 N.s9s10.06
Hydrophobic TM3 R 134 3x50 s5s6 I 79 N.s5s6.08
Van-der-waals TM3 R 134 3x50 s5s6 I 79 N.s5s6.08
Polar ICL2 T 142 34x51 S5 Y 71 N.S5.12
Hydrophobic TM5 L 226 5x65 s5s6 L 81 N.s5s6.10
Ionic ICL3 H 232 - s9s10 D 166 N.s9s10.08
Polar ICL3 H 232 - s9s10 D 166 N.s9s10.08
Hydrophobic ICL3 H 232 - s9s10 D 166 N.s9s10.08
Van-der-waals ICL3 H 232 - s9s10 D 166 N.s9s10.08
Hydrophobic ICL2 A 141 34x50 S6 F 83 N.S6.01
Polar ICL2 N 143 34x52 s15s16 S 256 C.s15s16.05
Hydrophobic ICL2 N 143 34x52 s15s16 S 256 C.s15s16.05
Van-der-waals ICL2 N 143 34x52 s15s16 S 256 C.s15s16.05
Polar ICL2 Q 145 34x54 s8s9 D 142 N.s8s9.06
Hydrophobic ICL2 Q 145 34x54 s8s9 D 142 N.s8s9.06
Van-der-waals ICL2 Q 145 34x54 s8s9 D 142 N.s8s9.06
Polar ICL3 H 232 - s9s10 E 165 N.s9s10.07
Hydrophobic ICL3 H 232 - s9s10 E 165 N.s9s10.07
Van-der-waals ICL3 H 232 - s9s10 E 165 N.s9s10.07
Polar ICL3 K 230 - S6 D 86 N.S6.04
Hydrophobic ICL3 K 230 - S6 D 86 N.S6.04
Van-der-waals ICL3 K 230 - S6 D 86 N.S6.04
Hydrophobic TM3 I 130 3x46 s5s6 I 79 N.s5s6.08
Polar ICL2 N 143 34x52 S16 D 257 C.S16.01
Hydrophobic ICL2 N 143 34x52 S16 D 257 C.S16.01
Van-der-waals ICL2 N 143 34x52 S16 D 257 C.S16.01
Polar TM3 H 140 3x56 s15s16 S 255 C.s15s16.04
Hydrophobic TM3 H 140 3x56 s15s16 S 255 C.s15s16.04
Van-der-waals TM3 H 140 3x56 s15s16 S 255 C.s15s16.04
Hydrophobic TM6 A 237 6x33 s5s6 L 81 N.s5s6.10
Van-der-waals TM6 A 237 6x33 s5s6 L 81 N.s5s6.10
Hydrophobic ICL2 A 141 34x50 s15s16 S 255 C.s15s16.04
Hydrophobic TM2 T 73 2x39 s5s6 V 78 N.s5s6.07
Van-der-waals TM2 T 73 2x39 s5s6 V 78 N.s5s6.07
Hydrophobic TM6 L 244 6x40 s5s6 I 79 N.s5s6.08
Van-der-waals TM6 L 244 6x40 s5s6 I 79 N.s5s6.08
Polar ICL2 T 142 34x51 s15s16 S 255 C.s15s16.04
Hydrophobic ICL2 T 142 34x51 s15s16 S 255 C.s15s16.04
Van-der-waals ICL2 T 142 34x51 s15s16 S 255 C.s15s16.04
Polar ICL2 A 141 34x50 S5 Y 71 N.S5.12
Hydrophobic ICL2 A 141 34x50 S5 Y 71 N.S5.12
Van-der-waals ICL2 A 141 34x50 S5 Y 71 N.S5.12
Hydrophobic TM3 I 138 3x54 s5s6 L 81 N.s5s6.10
Polar TM2 R 77 2x43 s5s6 D 77 N.s5s6.06