Ggust - β1-adrenoceptor 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.: 78.4

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

PTM Score: 0.7
iPTM Score: 0.7
PAE mean: 13.0


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
Polar TM6 T 325 6x36 G.H5 G 352 G.H5.24
Hydrophobic TM6 T 325 6x36 G.H5 G 352 G.H5.24
Van-der-waals TM6 T 325 6x36 G.H5 G 352 G.H5.24
Hydrophobic C-term W 448 - G.H2 K 209 G.H2.05
Hydrophobic ICL2 F 164 34x51 G.H5 T 340 G.H5.12
Van-der-waals ICL2 F 164 34x51 G.H5 T 340 G.H5.12
Hydrophobic C-term W 448 - G.h2s4 F 215 G.h2s4.01
Polar ICL2 S 168 34x55 G.s2s3 D 193 G.s2s3.02
Hydrophobic ICL2 S 168 34x55 G.s2s3 D 193 G.s2s3.02
Van-der-waals ICL2 S 168 34x55 G.s2s3 D 193 G.s2s3.02
Ionic TM6 R 318 6x29 G.h4s6 E 318 G.h4s6.12
Polar TM6 R 318 6x29 G.h4s6 E 318 G.h4s6.12
Hydrophobic TM6 R 318 6x29 G.h4s6 E 318 G.h4s6.12
Van-der-waals TM6 R 318 6x29 G.h4s6 E 318 G.h4s6.12
Hydrophobic ICL2 F 164 34x51 G.H5 I 343 G.H5.15
Polar TM5 Q 254 5x68 G.H5 D 341 G.H5.13
Hydrophobic TM5 Q 254 5x68 G.H5 D 341 G.H5.13
Van-der-waals TM5 Q 254 5x68 G.H5 D 341 G.H5.13
Hydrophobic C-term W 448 - G.H2 R 208 G.H2.04
Van-der-waals C-term W 448 - G.H2 R 208 G.H2.04
Hydrophobic C-term W 448 - G.H2 I 212 G.H2.08
Polar TM3 R 156 3x50 G.H5 N 347 G.H5.19
Hydrophobic ICL2 P 163 34x50 G.H5 I 344 G.H5.16
Van-der-waals ICL2 P 163 34x50 G.H5 I 344 G.H5.16
Hydrophobic TM3 I 160 3x54 G.H5 L 348 G.H5.20
Van-der-waals TM3 I 160 3x54 G.H5 L 348 G.H5.20
Hydrophobic ICL3 C 261 - G.S6 H 322 G.S6.04
Polar ICL3 E 262 - G.H4 K 304 G.H4.12
Polar TM6 K 321 6x32 G.H5 F 354 G.H5.26
Hydrophobic TM6 K 321 6x32 G.H5 F 354 G.H5.26
Van-der-waals TM6 K 321 6x32 G.H5 F 354 G.H5.26
Hydrophobic TM6 L 326 6x37 G.H5 L 353 G.H5.25
Van-der-waals TM6 L 326 6x37 G.H5 L 353 G.H5.25
Hydrophobic ICL3 L 266 - G.H4 N 305 G.H4.13
Polar TM6 R 318 6x29 G.h4s6 E 315 G.h4s6.09
Van-der-waals TM6 R 318 6x29 G.h4s6 E 315 G.h4s6.09
Polar ICL2 Q 167 34x54 G.hns1 A 31 G.hns1.02
Hydrophobic ICL2 Q 167 34x54 G.hns1 A 31 G.hns1.02
Van-der-waals ICL2 Q 167 34x54 G.hns1 A 31 G.hns1.02
Hydrophobic TM5 V 247 5x61 G.H5 L 353 G.H5.25
Van-der-waals TM5 V 247 5x61 G.H5 L 353 G.H5.25
Hydrophobic ICL2 Q 167 34x54 G.S3 L 194 G.S3.01
Van-der-waals TM4 T 171 4x38 G.hns1 R 32 G.hns1.03
Ionic TM5 K 257 5x71 G.H5 D 341 G.H5.13
Polar TM5 K 257 5x71 G.H5 D 341 G.H5.13
Hydrophobic TM5 K 257 5x71 G.H5 D 341 G.H5.13
Van-der-waals TM5 K 257 5x71 G.H5 D 341 G.H5.13
Polar ICL3 F 265 - G.H4 N 301 G.H4.08
Hydrophobic ICL3 F 265 - G.H4 N 301 G.H4.08
Van-der-waals ICL3 F 265 - G.H4 N 301 G.H4.08
Polar TM6 R 318 6x29 G.h4s6 K 314 G.h4s6.08
Van-der-waals TM6 R 318 6x29 G.h4s6 K 314 G.h4s6.08
Hydrophobic ICL2 F 164 34x51 G.S3 L 194 G.S3.01
Van-der-waals ICL2 F 164 34x51 G.S3 L 194 G.S3.01
Hydrophobic TM3 I 160 3x54 G.H5 L 353 G.H5.25
Hydrophobic TM3 I 160 3x54 G.H5 I 344 G.H5.16
Van-der-waals TM3 I 160 3x54 G.H5 I 344 G.H5.16
Hydrophobic TM5 A 251 5x65 G.H5 L 348 G.H5.20
Hydrophobic TM6 R 318 6x29 G.H5 F 354 G.H5.26
Van-der-waals TM6 R 318 6x29 G.H5 F 354 G.H5.26
Polar ICL2 Q 167 34x54 G.hns1 R 32 G.hns1.03
Hydrophobic ICL2 Q 167 34x54 G.hns1 R 32 G.hns1.03
Van-der-waals ICL2 Q 167 34x54 G.hns1 R 32 G.hns1.03
Hydrophobic TM6 L 314 6x25 G.h4s6 E 315 G.h4s6.09
Polar ICL3 F 265 - G.H4 K 304 G.H4.12
Hydrophobic ICL3 F 265 - G.H4 K 304 G.H4.12
Van-der-waals ICL3 F 265 - G.H4 K 304 G.H4.12
Polar ICL2 S 168 34x55 G.hns1 R 32 G.hns1.03
Hydrophobic ICL2 S 168 34x55 G.hns1 R 32 G.hns1.03
Van-der-waals ICL2 S 168 34x55 G.hns1 R 32 G.hns1.03
Hydrophobic TM3 I 160 3x54 G.H5 N 347 G.H5.19
Hydrophobic TM5 Q 254 5x68 G.H5 L 348 G.H5.20
Hydrophobic TM5 I 258 5x72 G.H5 F 354 G.H5.26
Van-der-waals TM5 I 258 5x72 G.H5 F 354 G.H5.26
Hydrophobic ICL2 F 164 34x51 G.s2s3 K 192 G.s2s3.01
Van-der-waals ICL2 F 164 34x51 G.s2s3 K 192 G.s2s3.01
Hydrophobic TM3 I 160 3x54 G.H5 C 351 G.H5.23
Van-der-waals TM3 I 160 3x54 G.H5 C 351 G.H5.23
Hydrophobic ICL3 F 265 - G.S6 H 322 G.S6.04
Van-der-waals ICL3 F 265 - G.S6 H 322 G.S6.04
Polar TM3 R 156 3x50 G.H5 C 351 G.H5.23
Hydrophobic TM3 R 156 3x50 G.H5 C 351 G.H5.23
Van-der-waals TM3 R 156 3x50 G.H5 C 351 G.H5.23
Hydrophobic TM5 I 258 5x72 G.S6 Y 320 G.S6.02
Polar TM6 A 322 6x33 G.H5 L 353 G.H5.25
Hydrophobic TM6 A 322 6x33 G.H5 L 353 G.H5.25
Van-der-waals TM6 A 322 6x33 G.H5 L 353 G.H5.25
Hydrophobic ICL3 F 265 - G.S6 S 321 G.S6.03
Van-der-waals ICL3 F 265 - G.S6 S 321 G.S6.03
Polar TM4 R 172 4x39 G.HN Q 24 G.HN.48
Hydrophobic TM4 R 172 4x39 G.HN Q 24 G.HN.48
Van-der-waals TM4 R 172 4x39 G.HN Q 24 G.HN.48
Ionic C-term E 446 - G.H3 H 248 G.H3.07
Polar C-term E 446 - G.H3 H 248 G.H3.07
Hydrophobic C-term E 446 - G.H3 H 248 G.H3.07
Van-der-waals C-term E 446 - G.H3 H 248 G.H3.07
Hydrophobic C-term W 448 - G.H2 W 211 G.H2.07
Polar TM3 A 159 3x53 G.H5 N 347 G.H5.19
Hydrophobic TM3 A 159 3x53 G.H5 N 347 G.H5.19
Van-der-waals TM3 A 159 3x53 G.H5 N 347 G.H5.19
Hydrophobic ICL3 F 265 - G.S5 L 268 G.S5.06
Ionic ICL2 R 165 34x52 G.s2s3 D 193 G.s2s3.02
Hydrophobic TM6 T 325 6x36 G.H5 L 353 G.H5.25
Van-der-waals TM6 T 325 6x36 G.H5 L 353 G.H5.25
Hydrophobic TM5 I 258 5x72 G.h4s6 E 318 G.h4s6.12
Van-der-waals TM5 I 258 5x72 G.h4s6 E 318 G.h4s6.12
Polar TM4 R 172 4x39 G.HN E 28 G.HN.52
Hydrophobic TM4 R 172 4x39 G.HN E 28 G.HN.52
Van-der-waals TM4 R 172 4x39 G.HN E 28 G.HN.52
Hydrophobic TM5 Q 254 5x68 G.H5 I 344 G.H5.16
Van-der-waals TM5 Q 254 5x68 G.H5 I 344 G.H5.16
Hydrophobic ICL3 F 265 - G.S6 M 323 G.S6.05
Van-der-waals ICL3 F 265 - G.S6 M 323 G.S6.05
Hydrophobic TM5 V 255 5x69 G.H5 F 354 G.H5.26
Van-der-waals TM5 V 255 5x69 G.H5 F 354 G.H5.26
Hydrophobic ICL2 P 163 34x50 G.H5 I 343 G.H5.15