Ggust - MRGPRX2 complex model

GPCR CLASS (FAMILY)

A (Rhodopsin)

SPECIES

Homo sapiens

G PROTEIN FAMILY

Gi/o

DATE

2023-09-15

3D VIEW

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


Tertiary structure confidence

(pLDDT score) avg.: 83.5

Very high (>90)
Confident (90-70)
Low (70-50)
Very low (<50)
Disordered

PTM Score: 0.7
iPTM Score: 0.7
PAE mean: 12.0


GPCR - G protein interface interactions



The biflare plot is a modified version of a flareplot, where lines are drawn between an inner concentric circle (Gα 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 cut-off:

Residue numbering:

GPCR-G protein backbone (bb) or sidechain (sc):





Structures

Sequence Color

Gα, 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		 Gα
segment
AA
Number		 Generic
number
Van-der-waals ICL2 I 135 34x51 G.s2s3 K 192 G.s2s3.01
Hydrophobic TM2 F 64 2x39 G.H5 D 350 G.H5.22
Hydrophobic ICL2 P 134 34x50 G.H5 T 340 G.H5.12
Van-der-waals ICL2 P 134 34x50 G.H5 T 340 G.H5.12
Ionic TM4 R 143 4x39 G.HN E 28 G.HN.52
Polar TM4 R 143 4x39 G.HN E 28 G.HN.52
Hydrophobic TM4 R 143 4x39 G.HN E 28 G.HN.52
Van-der-waals TM4 R 143 4x39 G.HN E 28 G.HN.52
Hydrophobic ICL2 I 135 34x51 G.H5 I 343 G.H5.15
Hydrophobic ICL2 P 134 34x50 G.H5 I 343 G.H5.15
Hydrophobic ICL3 L 216 - G.H5 K 345 G.H5.17
Hydrophobic TM3 V 131 3x54 G.H5 I 344 G.H5.16
Polar ICL2 C 139 34x55 G.hns1 R 32 G.hns1.03
Hydrophobic ICL2 C 139 34x55 G.hns1 R 32 G.hns1.03
Van-der-waals ICL2 C 139 34x55 G.hns1 R 32 G.hns1.03
Hydrophobic ICL2 I 135 34x51 G.s2s3 D 193 G.s2s3.02
Polar C-term Q 301 - G.H3 K 257 G.H3.16
Hydrophobic TM3 R 127 3x50 G.H5 L 353 G.H5.25
Van-der-waals TM3 R 127 3x50 G.H5 L 353 G.H5.25
Hydrophobic ICL3 L 216 - G.h4s6 E 318 G.h4s6.12
Ionic C-term K 287 - G.H5 D 350 G.H5.22
Polar C-term K 287 - G.H5 D 350 G.H5.22
Van-der-waals C-term K 287 - G.H5 D 350 G.H5.22
Hydrophobic ICL2 Y 137 34x53 G.H5 N 347 G.H5.19
Ionic ICL2 R 138 34x54 G.H5 E 346 G.H5.18
Polar ICL2 R 138 34x54 G.H5 E 346 G.H5.18
Van-der-waals ICL2 R 138 34x54 G.H5 E 346 G.H5.18
Hydrophobic TM6 L 221 6x33 G.H5 L 353 G.H5.25
Hydrophobic ICL2 I 135 34x51 G.S3 L 194 G.S3.01
Polar TM3 S 130 3x53 G.H5 N 347 G.H5.19
Hydrophobic TM3 S 130 3x53 G.H5 N 347 G.H5.19
Van-der-waals TM3 S 130 3x53 G.H5 N 347 G.H5.19
Polar TM3 R 127 3x50 G.H5 C 351 G.H5.23
Hydrophobic TM3 R 127 3x50 G.H5 C 351 G.H5.23
Van-der-waals TM3 R 127 3x50 G.H5 C 351 G.H5.23
Hydrophobic ICL2 P 134 34x50 G.H5 I 344 G.H5.16
Van-der-waals ICL2 P 134 34x50 G.H5 I 344 G.H5.16
Hydrophobic C-term R 290 - G.h3s5 T 261 G.h3s5.02
Ionic ICL2 R 140 34x56 G.s2s3 D 193 G.s2s3.02
Polar ICL2 R 140 34x56 G.s2s3 D 193 G.s2s3.02
Hydrophobic ICL2 R 140 34x56 G.s2s3 D 193 G.s2s3.02
Van-der-waals ICL2 R 140 34x56 G.s2s3 D 193 G.s2s3.02
Hydrophobic TM2 F 64 2x39 G.H5 C 351 G.H5.23
Van-der-waals TM2 F 64 2x39 G.H5 C 351 G.H5.23
Hydrophobic TM3 V 131 3x54 G.H5 L 348 G.H5.20
Van-der-waals TM3 V 131 3x54 G.H5 L 348 G.H5.20
Hydrophobic ICL3 R 214 - G.H5 I 344 G.H5.16
Van-der-waals ICL3 R 214 - G.H5 I 344 G.H5.16
Polar ICL3 G 215 - G.h4s6 E 318 G.h4s6.12
Polar ICL2 P 134 34x50 G.H5 N 347 G.H5.19
Polar TM2 N 62 2x37 G.H5 D 350 G.H5.22
Van-der-waals TM2 N 62 2x37 G.H5 D 350 G.H5.22
Hydrophobic ICL3 R 214 - G.h4s6 E 318 G.h4s6.12
Van-der-waals ICL3 R 214 - G.h4s6 E 318 G.h4s6.12
Polar TM4 R 143 4x39 G.HN Q 24 G.HN.48
Hydrophobic TM4 R 143 4x39 G.HN Q 24 G.HN.48
Van-der-waals TM4 R 143 4x39 G.HN Q 24 G.HN.48
Hydrophobic TM5 L 205 5x61 G.H5 L 353 G.H5.25
Hydrophobic ICL2 C 139 34x55 G.s2s3 D 193 G.s2s3.02
Hydrophobic TM3 S 130 3x53 G.H5 C 351 G.H5.23
Hydrophobic ICL2 R 138 34x54 G.H5 I 343 G.H5.15
Ionic C-term R 290 - G.h4s6 D 316 G.h4s6.10
Polar C-term R 290 - G.h4s6 D 316 G.h4s6.10
Hydrophobic C-term R 290 - G.h4s6 D 316 G.h4s6.10
Van-der-waals C-term R 290 - G.h4s6 D 316 G.h4s6.10
Hydrophobic ICL2 C 139 34x55 G.S3 L 194 G.S3.01
Van-der-waals ICL2 C 139 34x55 G.S3 L 194 G.S3.01
Polar ICL2 R 138 34x54 G.hns1 A 31 G.hns1.02
Hydrophobic ICL2 R 138 34x54 G.hns1 A 31 G.hns1.02
Van-der-waals ICL2 R 138 34x54 G.hns1 A 31 G.hns1.02
Hydrophobic ICL3 L 216 - G.H5 F 354 G.H5.26
Ionic ICL3 R 214 - G.H5 D 341 G.H5.13
Polar ICL3 R 214 - G.H5 D 341 G.H5.13
Hydrophobic ICL3 R 214 - G.H5 D 341 G.H5.13
Van-der-waals ICL3 R 214 - G.H5 D 341 G.H5.13
Hydrophobic ICL2 I 135 34x51 G.H5 F 336 G.H5.08
Van-der-waals ICL2 I 135 34x51 G.H5 F 336 G.H5.08
Hydrophobic TM7 G 283 7x57 G.H5 G 352 G.H5.24
Aromatic C-term R 286 - G.H5 F 354 G.H5.26
Hydrophobic C-term R 286 - G.H5 F 354 G.H5.26
Van-der-waals C-term R 286 - G.H5 F 354 G.H5.26
Hydrophobic TM6 L 221 6x33 G.H5 L 348 G.H5.20
Van-der-waals TM6 L 221 6x33 G.H5 L 348 G.H5.20
Hydrophobic TM6 T 224 6x36 G.H5 L 353 G.H5.25
Van-der-waals TM6 T 224 6x36 G.H5 L 353 G.H5.25