Beta-arrestin-2 - NK1 receptor 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
NK1 73.7
Beta-arrestin-2 79.1
Very high (>90)
Confident (90-70)
Low (70-50)
Very low (<50)
Disordered

PTM Score: 0.7
iPTM Score: 0.6
PAE mean: 16.7


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)

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Interaction
type		 GPCR
Segment
AA
Number		 Generic
number		 Arrestin
segment
AA
Number		 Generic
number
Hydrophobic TM6 V 246 6x33 s5s6 L 72 N.s5s6.08
Van-der-waals TM6 V 246 6x33 s5s6 L 72 N.s5s6.08
Hydrophobic TM3 I 134 3x54 s5s6 L 69 N.s5s6.05
Van-der-waals TM3 I 134 3x54 s5s6 L 69 N.s5s6.05
Hydrophobic ICL2 P 140 - s5s6 R 66 N.s5s6.02
Hydrophobic C-term L 354 - s20c M 399 C.s20c.09
Van-der-waals C-term L 354 - s20c M 399 C.s20c.09
Hydrophobic ICL2 R 141 - s5s6 R 66 N.s5s6.02
Van-der-waals ICL2 R 141 - s5s6 R 66 N.s5s6.02
Hydrophobic TM6 R 235 6x22 S6 R 77 N.S6.02
Van-der-waals TM6 R 235 6x22 S6 R 77 N.S6.02
Polar ICL2 P 137 - s5s6 R 66 N.s5s6.02
Van-der-waals ICL2 P 137 - s5s6 R 66 N.s5s6.02
Hydrophobic C-term K 337 - s9s10 K 161 N.s9s10.12
Ionic ICL1 R 62 12x49 s5s6 E 67 N.s5s6.03
Polar ICL1 R 62 12x49 s5s6 E 67 N.s5s6.03
Van-der-waals ICL1 R 62 12x49 s5s6 E 67 N.s5s6.03
Polar TM2 T 65 2x37 s5s6 D 68 N.s5s6.04
Hydrophobic TM2 T 65 2x37 s5s6 D 68 N.s5s6.04
Van-der-waals TM2 T 65 2x37 s5s6 D 68 N.s5s6.04
Hydrophobic TM5 L 223 5x65 s5s6 L 74 N.s5s6.10
Hydrophobic TM6 M 250 6x37 s5s6 L 72 N.s5s6.08
Hydrophobic ICL2 L 138 - S15 I 242 C.S15.14
Van-der-waals ICL2 L 138 - S15 I 242 C.S15.14
Hydrophobic TM3 R 130 3x50 s5s6 L 72 N.s5s6.08
Hydrophobic TM5 I 228 5x70 s15s16 F 245 C.s15s16.03
Hydrophobic TM5 L 223 5x65 S6 F 76 N.S6.01
Hydrophobic C-term R 353 - s20c K 400 C.s20c.10
Hydrophobic TM3 A 133 3x53 s5s6 L 69 N.s5s6.05
Hydrophobic TM6 K 243 6x30 S6 F 76 N.S6.01
Hydrophobic TM2 N 68 2x40 s5s6 V 71 N.s5s6.07
Van-der-waals TM2 N 68 2x40 s5s6 V 71 N.s5s6.07
Polar ICL2 Q 139 - s5s6 R 66 N.s5s6.02
Hydrophobic ICL2 Q 139 - s5s6 R 66 N.s5s6.02
Van-der-waals ICL2 Q 139 - s5s6 R 66 N.s5s6.02
Hydrophobic TM2 L 71 2x43 s5s6 V 71 N.s5s6.07
Hydrophobic TM6 K 243 6x30 s5s6 L 74 N.s5s6.10
Polar H8 N 309 8x47 s5s6 D 70 N.s5s6.06
Van-der-waals H8 N 309 8x47 s5s6 D 70 N.s5s6.06
Hydrophobic TM5 I 228 5x70 S6 K 78 N.S6.03
Polar ICL2 L 138 - S16 Y 250 C.S16.03
Hydrophobic ICL2 L 138 - S16 Y 250 C.S16.03
Van-der-waals ICL2 L 138 - S16 Y 250 C.S16.03
Hydrophobic TM5 P 229 5x71 s15s16 L 244 C.s15s16.02
Hydrophobic TM5 G 230 5x72 S6 K 78 N.S6.03
Polar TM5 P 229 5x71 S6 K 78 N.S6.03
Hydrophobic TM5 P 229 5x71 S6 K 78 N.S6.03
Van-der-waals TM5 P 229 5x71 S6 K 78 N.S6.03
Hydrophobic TM6 A 242 6x29 s5s6 L 74 N.s5s6.10
Polar H8 N 309 8x47 s5s6 V 71 N.s5s6.07
Van-der-waals H8 N 309 8x47 s5s6 V 71 N.s5s6.07
Polar TM2 T 67 2x39 s5s6 D 68 N.s5s6.04
Hydrophobic TM2 T 67 2x39 s5s6 D 68 N.s5s6.04
Van-der-waals TM2 T 67 2x39 s5s6 D 68 N.s5s6.04
Hydrophobic ICL2 L 138 - s15s16 S 246 C.s15s16.04
Ionic TM6 R 235 6x22 S6 D 79 N.S6.04
Polar TM6 R 235 6x22 S6 D 79 N.S6.04
Van-der-waals TM6 R 235 6x22 S6 D 79 N.S6.04
Polar ICL1 R 62 12x49 s20c Y 404 C.s20c.14
Aromatic ICL1 R 62 12x49 s20c Y 404 C.s20c.14
Hydrophobic ICL1 R 62 12x49 s20c Y 404 C.s20c.14
Van-der-waals ICL1 R 62 12x49 s20c Y 404 C.s20c.14
Hydrophobic C-term L 354 - s20c K 400 C.s20c.10
Van-der-waals C-term L 354 - s20c K 400 C.s20c.10
Hydrophobic C-term S 352 - s20c K 400 C.s20c.10
Van-der-waals C-term S 352 - s20c K 400 C.s20c.10
Hydrophobic TM3 I 134 3x54 s5s6 L 72 N.s5s6.08
Ionic TM6 E 238 6x25 s9s10 K 158 N.s9s10.09
Polar TM6 E 238 6x25 s9s10 K 158 N.s9s10.09
Van-der-waals TM6 E 238 6x25 s9s10 K 158 N.s9s10.09
Polar ICL2 P 137 - S5 Y 64 N.S5.12
Hydrophobic ICL2 P 137 - S5 Y 64 N.S5.12
Van-der-waals ICL2 P 137 - S5 Y 64 N.S5.12
Polar ICL2 L 138 - S5 Y 64 N.S5.12
Hydrophobic ICL2 L 138 - S5 Y 64 N.S5.12
Van-der-waals ICL2 L 138 - S5 Y 64 N.S5.12
Hydrophobic TM7 L 308 7x56 s5s6 L 72 N.s5s6.08
Ionic H8 R 311 8x49 s5s6 E 67 N.s5s6.03
Polar H8 R 311 8x49 s5s6 E 67 N.s5s6.03
Hydrophobic H8 R 311 8x49 s5s6 E 67 N.s5s6.03
Van-der-waals H8 R 311 8x49 s5s6 E 67 N.s5s6.03
Polar C-term M 336 - s20c Y 404 C.s20c.14
Hydrophobic C-term M 336 - s20c Y 404 C.s20c.14
Van-der-waals C-term M 336 - s20c Y 404 C.s20c.14
Hydrophobic ICL2 L 138 - S16 A 248 C.S16.01
Van-der-waals ICL2 L 138 - S16 A 248 C.S16.01
Hydrophobic TM4 S 143 4x38 s8s9 E 135 N.s8s9.05
Van-der-waals TM4 S 143 4x38 s8s9 E 135 N.s8s9.05
Polar TM4 A 144 4x39 s8s9 E 135 N.s8s9.05
Van-der-waals TM4 A 144 4x39 s8s9 E 135 N.s8s9.05
Hydrophobic C-term L 354 - s20c G 398 C.s20c.08
Van-der-waals C-term L 354 - s20c G 398 C.s20c.08
Ionic H8 R 311 8x49 s5s6 D 70 N.s5s6.06
Polar H8 R 311 8x49 s5s6 D 70 N.s5s6.06
Hydrophobic H8 R 311 8x49 s5s6 D 70 N.s5s6.06
Van-der-waals H8 R 311 8x49 s5s6 D 70 N.s5s6.06
Hydrophobic TM6 V 246 6x33 s5s6 L 74 N.s5s6.10
Ionic ICL2 R 141 - s5s6 D 68 N.s5s6.04
Polar ICL2 R 141 - s5s6 D 68 N.s5s6.04
Hydrophobic ICL2 R 141 - s5s6 D 68 N.s5s6.04
Van-der-waals ICL2 R 141 - s5s6 D 68 N.s5s6.04
Hydrophobic TM2 T 67 2x39 s5s6 V 71 N.s5s6.07
Polar TM6 Q 239 6x26 S6 R 77 N.S6.02
Hydrophobic TM6 Q 239 6x26 S6 R 77 N.S6.02
Van-der-waals TM6 Q 239 6x26 S6 R 77 N.S6.02