Ggust - A2A receptor 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.: 78.6

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

PTM Score: 0.7
iPTM Score: 0.6
PAE mean: 13.3


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
Polar TM4 G 118 4x39 G.HN E 28 G.HN.52
Van-der-waals TM4 G 118 4x39 G.HN E 28 G.HN.52
Polar ICL2 N 113 34x54 G.hns1 A 31 G.hns1.02
Hydrophobic ICL2 N 113 34x54 G.hns1 A 31 G.hns1.02
Van-der-waals ICL2 N 113 34x54 G.hns1 A 31 G.hns1.02
Ionic TM6 K 227 6x29 G.h4s6 E 318 G.h4s6.12
Polar TM6 K 227 6x29 G.h4s6 E 318 G.h4s6.12
Van-der-waals TM6 K 227 6x29 G.h4s6 E 318 G.h4s6.12
Hydrophobic TM4 T 117 4x38 G.hns1 R 32 G.hns1.03
Van-der-waals TM4 T 117 4x38 G.hns1 R 32 G.hns1.03
Hydrophobic TM5 Q 207 5x68 G.H5 I 344 G.H5.16
Van-der-waals TM5 Q 207 5x68 G.H5 I 344 G.H5.16
Hydrophobic C-term L 386 - G.H3 H 256 G.H3.15
Van-der-waals C-term L 386 - G.H3 H 256 G.H3.15
Polar TM2 Y 43 2x41 G.HN Q 24 G.HN.48
Van-der-waals TM2 Y 43 2x41 G.HN Q 24 G.HN.48
Hydrophobic TM5 A 204 5x65 G.H5 L 348 G.H5.20
Hydrophobic TM5 M 211 5x72 G.S6 Y 320 G.S6.02
Van-der-waals TM5 M 211 5x72 G.S6 Y 320 G.S6.02
Polar TM6 S 234 6x36 G.H5 G 352 G.H5.24
Hydrophobic TM5 Q 207 5x68 G.H5 L 348 G.H5.20
Polar TM3 R 102 3x50 G.H5 D 350 G.H5.22
Van-der-waals TM3 R 102 3x50 G.H5 D 350 G.H5.22
Hydrophobic TM5 M 211 5x72 G.H5 F 354 G.H5.26
Van-der-waals TM5 M 211 5x72 G.H5 F 354 G.H5.26
Hydrophobic TM3 I 106 3x54 G.H5 I 344 G.H5.16
Hydrophobic TM3 I 106 3x54 G.H5 C 351 G.H5.23
Van-der-waals TM3 I 106 3x54 G.H5 C 351 G.H5.23
Hydrophobic ICL2 G 114 34x55 G.hns1 R 32 G.hns1.03
Van-der-waals ICL2 G 114 34x55 G.hns1 R 32 G.hns1.03
Hydrophobic TM6 K 227 6x29 G.H5 F 354 G.H5.26
Hydrophobic TM7 R 291 7x56 G.H5 G 352 G.H5.24
Polar ICL2 R 111 34x52 G.s2s3 K 192 G.s2s3.01
Hydrophobic ICL2 R 111 34x52 G.s2s3 K 192 G.s2s3.01
Van-der-waals ICL2 R 111 34x52 G.s2s3 K 192 G.s2s3.01
Ionic H8 R 293 8x48 G.h4s6 D 316 G.h4s6.10
Polar TM3 R 102 3x50 G.H5 N 347 G.H5.19
Hydrophobic TM6 R 220 6x22 G.H4 L 308 G.H4.16
Hydrophobic ICL2 L 110 34x51 G.S2 F 191 G.S2.08
Hydrophobic ICL2 L 110 34x51 G.S3 L 194 G.S3.01
Van-der-waals ICL2 L 110 34x51 G.S3 L 194 G.S3.01
Polar ICL2 N 113 34x54 G.hns1 R 32 G.hns1.03
Hydrophobic ICL2 N 113 34x54 G.hns1 R 32 G.hns1.03
Van-der-waals ICL2 N 113 34x54 G.hns1 R 32 G.hns1.03
Hydrophobic TM5 L 208 5x69 G.H5 F 354 G.H5.26
Van-der-waals TM5 L 208 5x69 G.H5 F 354 G.H5.26
Polar TM3 R 102 3x50 G.H5 C 351 G.H5.23
Hydrophobic TM3 R 102 3x50 G.H5 C 351 G.H5.23
Van-der-waals TM3 R 102 3x50 G.H5 C 351 G.H5.23
Hydrophobic TM3 I 106 3x54 G.H5 L 353 G.H5.25
Polar TM6 A 231 6x33 G.H5 L 353 G.H5.25
Hydrophobic TM6 A 231 6x33 G.H5 L 353 G.H5.25
Van-der-waals TM6 A 231 6x33 G.H5 L 353 G.H5.25
Hydrophobic TM6 S 234 6x36 G.H5 L 353 G.H5.25
Hydrophobic ICL2 P 109 34x50 G.H5 I 343 G.H5.15
Hydrophobic TM6 L 235 6x37 G.H5 L 353 G.H5.25
Van-der-waals TM6 L 235 6x37 G.H5 L 353 G.H5.25
Hydrophobic ICL2 L 110 34x51 G.s2s3 K 192 G.s2s3.01
Van-der-waals ICL2 L 110 34x51 G.s2s3 K 192 G.s2s3.01
Hydrophobic C-term V 383 - G.H3 H 248 G.H3.07
Van-der-waals C-term V 383 - G.H3 H 248 G.H3.07
Hydrophobic ICL2 L 110 34x51 G.H5 T 340 G.H5.12
Van-der-waals ICL2 L 110 34x51 G.H5 T 340 G.H5.12
Hydrophobic TM3 I 106 3x54 G.H5 L 348 G.H5.20
Van-der-waals TM3 I 106 3x54 G.H5 L 348 G.H5.20
Hydrophobic TM5 M 211 5x72 G.h4s6 E 318 G.h4s6.12
Van-der-waals TM5 M 211 5x72 G.h4s6 E 318 G.h4s6.12
Hydrophobic ICL3 L 216 - G.H4 N 305 G.H4.13
Van-der-waals ICL3 L 216 - G.H4 N 305 G.H4.13
Polar TM5 Q 207 5x68 G.H5 D 341 G.H5.13
Hydrophobic TM5 Q 207 5x68 G.H5 D 341 G.H5.13
Van-der-waals TM5 Q 207 5x68 G.H5 D 341 G.H5.13
Hydrophobic TM4 T 117 4x38 G.HN E 28 G.HN.52
Polar TM3 A 105 3x53 G.H5 N 347 G.H5.19
Hydrophobic TM3 A 105 3x53 G.H5 N 347 G.H5.19
Van-der-waals TM3 A 105 3x53 G.H5 N 347 G.H5.19
Polar ICL3 Q 214 - G.H4 K 304 G.H4.12
Hydrophobic ICL3 Q 214 - G.H4 K 304 G.H4.12
Van-der-waals ICL3 Q 214 - G.H4 K 304 G.H4.12
Polar TM5 Q 210 5x71 G.H5 D 341 G.H5.13
Hydrophobic TM5 Q 210 5x71 G.H5 D 341 G.H5.13
Van-der-waals TM5 Q 210 5x71 G.H5 D 341 G.H5.13
Hydrophobic C-term L 385 - G.H3 S 252 G.H3.11
Van-der-waals C-term L 385 - G.H3 S 252 G.H3.11
Hydrophobic TM5 M 211 5x72 G.H5 K 345 G.H5.17
Ionic ICL2 R 111 34x52 G.s2s3 D 193 G.s2s3.02
Polar ICL2 R 111 34x52 G.s2s3 D 193 G.s2s3.02
Hydrophobic ICL2 R 111 34x52 G.s2s3 D 193 G.s2s3.02
Van-der-waals ICL2 R 111 34x52 G.s2s3 D 193 G.s2s3.02
Hydrophobic ICL2 P 109 34x50 G.H5 I 344 G.H5.16
Van-der-waals ICL2 P 109 34x50 G.H5 I 344 G.H5.16
Hydrophobic ICL2 L 110 34x51 G.H5 I 343 G.H5.15
Van-der-waals ICL2 L 110 34x51 G.H5 I 343 G.H5.15
Hydrophobic TM5 I 200 5x61 G.H5 L 353 G.H5.25
Van-der-waals TM5 I 200 5x61 G.H5 L 353 G.H5.25
Hydrophobic ICL2 P 109 34x50 G.H5 T 340 G.H5.12
Hydrophobic C-term L 386 - G.H2 I 212 G.H2.08
Van-der-waals C-term L 386 - G.H2 I 212 G.H2.08