Beta-arrestin-2 - PAC1 receptor complex model

GPCR CLASS (FAMILY)

B1 (Secretin)

SPECIES

Homo sapiens

ARRESTIN FAMILY

Beta

DATE

2025-02-19

3D VIEW

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Tertiary structure confidence

Chain pLDDT score avg
PAC1 72.1
Beta-arrestin-2 78.8
Very high (>90)
Confident (90-70)
Low (70-50)
Very low (<50)
Disordered

PTM Score: 0.6
iPTM Score: 0.5
PAE mean: 18.1


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 ICL3 D 339 - S6 K 78 N.S6.03
Polar ICL3 D 339 - S6 K 78 N.S6.03
Hydrophobic ICL3 D 339 - S6 K 78 N.S6.03
Van-der-waals ICL3 D 339 - S6 K 78 N.S6.03
Polar ICL2 T 258 - S16 Y 250 C.S16.03
Hydrophobic ICL2 T 258 - S16 Y 250 C.S16.03
Van-der-waals ICL2 T 258 - S16 Y 250 C.S16.03
Polar TM3 Y 250 3x53 s5s6 D 68 N.s5s6.04
Hydrophobic TM3 L 255 3x58 S6 F 76 N.S6.01
Polar ICL2 E 262 - s8s9 D 136 N.s8s9.06
Hydrophobic ICL2 E 262 - s8s9 D 136 N.s8s9.06
Van-der-waals ICL2 E 262 - s8s9 D 136 N.s8s9.06
Hydrophobic ICL2 P 261 - s17s18 R 286 C.s17s18.11
Van-der-waals ICL2 P 261 - s17s18 R 286 C.s17s18.11
Polar ICL2 F 259 - S16 Y 250 C.S16.03
Aromatic ICL2 F 259 - S16 Y 250 C.S16.03
Hydrophobic ICL2 F 259 - S16 Y 250 C.S16.03
Van-der-waals ICL2 F 259 - S16 Y 250 C.S16.03
Hydrophobic H8 E 406 8x49 s5s6 V 71 N.s5s6.07
Polar ICL1 H 182 12x51 s20c C 409 C.s20c.19
Hydrophobic ICL1 H 182 12x51 s20c C 409 C.s20c.19
Van-der-waals ICL1 H 182 12x51 s20c C 409 C.s20c.19
Polar ICL2 E 262 - s8s9 T 137 N.s8s9.07
Van-der-waals ICL2 E 262 - s8s9 T 137 N.s8s9.07
Van-der-waals ICL2 F 260 - s8s9 D 136 N.s8s9.06
Hydrophobic H8 N 404 8x47 s5s6 V 71 N.s5s6.07
Hydrophobic ICL2 F 259 - S8 L 130 N.S8.03
Van-der-waals ICL2 F 259 - S8 L 130 N.S8.03
Hydrophobic H8 A 409 8x52 s20c L 408 C.s20c.18
Hydrophobic TM3 L 255 3x58 s5s6 L 69 N.s5s6.05
Van-der-waals TM3 L 255 3x58 s5s6 L 69 N.s5s6.05
Ionic ICL2 R 263 - s8s9 E 135 N.s8s9.05
Polar ICL2 R 263 - s8s9 E 135 N.s8s9.05
Hydrophobic ICL2 R 263 - s8s9 E 135 N.s8s9.05
Van-der-waals ICL2 R 263 - s8s9 E 135 N.s8s9.05
Hydrophobic TM3 L 251 3x54 s5s6 L 69 N.s5s6.05
Hydrophobic ICL2 F 259 - S9 C 141 N.S9.01
Ionic ICL1 K 180 12x49 s20c D 406 C.s20c.16
Polar ICL1 K 180 12x49 s20c D 406 C.s20c.16
Van-der-waals ICL1 K 180 12x49 s20c D 406 C.s20c.16
Ionic H8 R 413 8x56 s20c D 406 C.s20c.16
Polar H8 R 413 8x56 s20c D 406 C.s20c.16
Van-der-waals H8 R 413 8x56 s20c D 406 C.s20c.16
Hydrophobic ICL2 F 259 - s8s9 P 132 N.s8s9.02
Polar TM6 S 354 6x41 s5s6 L 72 N.s5s6.08
Van-der-waals TM6 S 354 6x41 s5s6 L 72 N.s5s6.08
Hydrophobic TM5 K 334 5x64 s15s16 F 245 C.s15s16.03
Van-der-waals TM5 K 334 5x64 s15s16 F 245 C.s15s16.03
Polar TM3 V 256 3x59 s15s16 S 246 C.s15s16.04
Hydrophobic TM3 L 254 3x57 s5s6 R 66 N.s5s6.02
Van-der-waals TM3 L 254 3x57 s5s6 R 66 N.s5s6.02
Polar TM2 R 185 2x46 s5s6 D 68 N.s5s6.04
Hydrophobic TM2 R 185 2x46 s5s6 D 68 N.s5s6.04
Van-der-waals TM2 R 185 2x46 s5s6 D 68 N.s5s6.04
Hydrophobic H8 E 406 8x49 s20c L 408 C.s20c.18
Van-der-waals H8 E 406 8x49 s20c L 408 C.s20c.18
Ionic ICL2 E 262 - s5s6 R 66 N.s5s6.02
Polar ICL2 E 262 - s5s6 R 66 N.s5s6.02
Hydrophobic ICL2 E 262 - s5s6 R 66 N.s5s6.02
Van-der-waals ICL2 E 262 - s5s6 R 66 N.s5s6.02
Hydrophobic TM3 L 254 3x57 s5s6 L 69 N.s5s6.05
Hydrophobic TM3 L 254 3x57 s5s6 D 68 N.s5s6.04
Polar ICL2 T 258 - S5 Y 64 N.S5.12
Hydrophobic ICL2 T 258 - S5 Y 64 N.S5.12
Van-der-waals ICL2 T 258 - S5 Y 64 N.S5.12
Polar ICL2 F 260 - s5s6 R 66 N.s5s6.02
Aromatic ICL2 F 260 - s5s6 R 66 N.s5s6.02
Hydrophobic ICL2 F 260 - s5s6 R 66 N.s5s6.02
Van-der-waals ICL2 F 260 - s5s6 R 66 N.s5s6.02
Hydrophobic ICL2 T 258 - S9 C 141 N.S9.01
Hydrophobic ICL2 F 259 - s17s18 G 287 C.s17s18.12
Hydrophobic TM5 L 331 5x61 s5s6 L 74 N.s5s6.10
Van-der-waals TM5 L 331 5x61 s5s6 L 74 N.s5s6.10
Aromatic TM5 K 334 5x64 S6 F 76 N.S6.01
Hydrophobic TM5 K 334 5x64 S6 F 76 N.S6.01
Van-der-waals TM5 K 334 5x64 S6 F 76 N.S6.01
Hydrophobic TM3 L 251 3x54 s5s6 L 72 N.s5s6.08
Van-der-waals TM3 L 251 3x54 s5s6 L 72 N.s5s6.08
Hydrophobic ICL2 F 259 - s8s9 Q 131 N.s8s9.01
Polar TM2 C 183 2x44 s20c C 409 C.s20c.19
Hydrophobic TM2 C 183 2x44 s20c C 409 C.s20c.19
Van-der-waals TM2 C 183 2x44 s20c C 409 C.s20c.19
Hydrophobic TM2 R 185 2x46 s5s6 V 71 N.s5s6.07
Van-der-waals TM2 R 185 2x46 s5s6 V 71 N.s5s6.07
Hydrophobic ICL1 L 181 12x50 s20c C 409 C.s20c.19
Hydrophobic ICL3 S 337 - s15s16 F 245 C.s15s16.03
Hydrophobic TM6 L 358 6x45 s5s6 L 72 N.s5s6.08
Van-der-waals TM6 L 358 6x45 s5s6 L 72 N.s5s6.08
Hydrophobic H8 E 410 8x53 s20c L 408 C.s20c.18
Polar ICL1 K 180 12x49 s20c C 409 C.s20c.19
Hydrophobic ICL1 K 180 12x49 s20c C 409 C.s20c.19
Van-der-waals ICL1 K 180 12x49 s20c C 409 C.s20c.19
Hydrophobic ICL2 F 259 - S15 I 242 C.S15.14