Ggust - S1P1 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.: 82.2

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
Aromatic C-term F 350 - G.H2 W 211 G.H2.07
Hydrophobic C-term F 350 - G.H2 W 211 G.H2.07
Van-der-waals C-term F 350 - G.H2 W 211 G.H2.07
Hydrophobic TM3 R 142 3x50 G.H5 L 353 G.H5.25
Van-der-waals TM3 R 142 3x50 G.H5 L 353 G.H5.25
Polar ICL2 L 151 34x52 G.hns1 A 31 G.hns1.02
Hydrophobic ICL2 L 151 34x52 G.hns1 A 31 G.hns1.02
Van-der-waals ICL2 L 151 34x52 G.hns1 A 31 G.hns1.02
Hydrophobic C-term R 352 - G.s4h3 V 240 G.s4h3.14
Van-der-waals C-term R 352 - G.s4h3 V 240 G.s4h3.14
Ionic TM3 K 148 3x56 G.HN E 28 G.HN.52
Hydrophobic TM5 L 235 5x72 G.H5 T 340 G.H5.12
Polar ICL3 R 238 - G.H5 Q 330 G.H5.02
Hydrophobic ICL3 R 238 - G.H5 Q 330 G.H5.02
Van-der-waals ICL3 R 238 - G.H5 Q 330 G.H5.02
Polar TM7 T 314 7x56 G.H5 G 352 G.H5.24
Polar ICL2 H 152 34x53 G.hns1 D 30 G.hns1.01
Van-der-waals ICL2 H 152 34x53 G.hns1 D 30 G.hns1.01
Polar TM3 R 142 3x50 G.H5 G 352 G.H5.24
Hydrophobic C-term M 348 - G.H2 I 212 G.H2.08
Van-der-waals C-term M 348 - G.H2 I 212 G.H2.08
Hydrophobic C-term F 350 - G.H3 L 249 G.H3.08
Van-der-waals C-term F 350 - G.H3 L 249 G.H3.08
Hydrophobic TM6 T 257 6x36 G.H5 L 353 G.H5.25
Van-der-waals TM6 T 257 6x36 G.H5 L 353 G.H5.25
Ionic TM6 K 250 6x29 G.H5 D 341 G.H5.13
Polar TM6 K 250 6x29 G.H5 D 341 G.H5.13
Van-der-waals TM6 K 250 6x29 G.H5 D 341 G.H5.13
Hydrophobic TM3 T 145 3x53 G.H5 C 351 G.H5.23
Van-der-waals TM3 T 145 3x53 G.H5 C 351 G.H5.23
Hydrophobic ICL2 L 151 34x52 G.h2s4 T 219 G.h2s4.05
Van-der-waals ICL2 L 151 34x52 G.h2s4 T 219 G.h2s4.05
Hydrophobic ICL3 K 239 - G.S6 H 322 G.S6.04
Hydrophobic TM5 R 231 5x68 G.H5 I 344 G.H5.16
Van-der-waals TM5 R 231 5x68 G.H5 I 344 G.H5.16
Polar ICL2 N 153 34x54 G.H5 D 350 G.H5.22
Hydrophobic ICL2 N 153 34x54 G.H5 D 350 G.H5.22
Van-der-waals ICL2 N 153 34x54 G.H5 D 350 G.H5.22
Polar TM3 R 142 3x50 G.H5 C 351 G.H5.23
Hydrophobic TM3 R 142 3x50 G.H5 C 351 G.H5.23
Van-der-waals TM3 R 142 3x50 G.H5 C 351 G.H5.23
Hydrophobic TM3 M 146 3x54 G.H5 I 344 G.H5.16
Polar ICL2 K 150 34x51 G.H5 N 347 G.H5.19
Van-der-waals ICL2 K 150 34x51 G.H5 N 347 G.H5.19
Polar ICL2 H 152 34x53 G.hns1 A 31 G.hns1.02
Hydrophobic ICL2 H 152 34x53 G.hns1 A 31 G.hns1.02
Van-der-waals ICL2 H 152 34x53 G.hns1 A 31 G.hns1.02
Polar H8 K 316 8x48 G.H5 F 354 G.H5.26
Ionic C-term R 352 - G.s4h3 D 237 G.s4h3.11
Hydrophobic ICL2 K 150 34x51 G.hns1 A 31 G.hns1.02
Van-der-waals ICL2 K 150 34x51 G.hns1 A 31 G.hns1.02
Hydrophobic C-term M 348 - G.H2 K 209 G.H2.05
Ionic TM6 K 250 6x29 G.h4s6 E 318 G.h4s6.12
Polar TM6 K 250 6x29 G.h4s6 E 318 G.h4s6.12
Hydrophobic TM6 K 250 6x29 G.h4s6 E 318 G.h4s6.12
Van-der-waals TM6 K 250 6x29 G.h4s6 E 318 G.h4s6.12
Hydrophobic C-term F 350 - G.H3 I 253 G.H3.12
Van-der-waals C-term F 350 - G.H3 I 253 G.H3.12
Hydrophobic TM6 L 254 6x33 G.H5 L 353 G.H5.25
Van-der-waals TM6 L 254 6x33 G.H5 L 353 G.H5.25
Hydrophobic TM5 L 235 5x72 G.H5 D 341 G.H5.13
Van-der-waals TM5 L 235 5x72 G.H5 D 341 G.H5.13
Polar TM7 T 314 7x56 G.H5 F 354 G.H5.26
Van-der-waals TM7 T 314 7x56 G.H5 F 354 G.H5.26
Ionic ICL3 K 239 - G.H5 D 341 G.H5.13
Polar ICL3 K 239 - G.H5 D 341 G.H5.13
Hydrophobic TM3 M 146 3x54 G.H5 L 348 G.H5.20
Van-der-waals TM3 M 146 3x54 G.H5 L 348 G.H5.20
Ionic TM2 R 78 2x37 G.H5 D 350 G.H5.22
Polar TM2 R 78 2x37 G.H5 D 350 G.H5.22
Van-der-waals TM2 R 78 2x37 G.H5 D 350 G.H5.22
Hydrophobic TM2 M 80 2x39 G.H5 D 350 G.H5.22
Van-der-waals TM2 M 80 2x39 G.H5 D 350 G.H5.22
Hydrophobic ICL3 R 238 - G.H5 K 333 G.H5.05
Van-der-waals ICL3 R 238 - G.H5 K 333 G.H5.05
Hydrophobic TM3 M 146 3x54 G.H5 C 351 G.H5.23
Hydrophobic C-term F 350 - G.h2s4 F 215 G.h2s4.01
Hydrophobic TM6 K 250 6x29 G.H5 F 354 G.H5.26
Hydrophobic ICL2 M 149 34x50 G.H5 I 343 G.H5.15
Van-der-waals ICL2 M 149 34x50 G.H5 I 343 G.H5.15
Hydrophobic TM5 V 228 5x65 G.H5 L 348 G.H5.20
Ionic H8 E 317 8x49 G.H5 K 349 G.H5.21
Polar H8 E 317 8x49 G.H5 K 349 G.H5.21
Hydrophobic H8 E 317 8x49 G.H5 K 349 G.H5.21
Van-der-waals H8 E 317 8x49 G.H5 K 349 G.H5.21
Hydrophobic TM5 V 228 5x65 G.H5 I 344 G.H5.16
Van-der-waals TM4 N 156 4x38 G.HN Q 24 G.HN.48
Hydrophobic TM3 T 145 3x53 G.H5 N 347 G.H5.19
Van-der-waals TM3 T 145 3x53 G.H5 N 347 G.H5.19
Polar TM6 R 246 6x25 G.h4s6 K 314 G.h4s6.08
Hydrophobic TM6 R 246 6x25 G.h4s6 K 314 G.h4s6.08
Van-der-waals TM6 R 246 6x25 G.h4s6 K 314 G.h4s6.08
Hydrophobic TM3 M 146 3x54 G.H5 N 347 G.H5.19
Van-der-waals TM3 M 146 3x54 G.H5 N 347 G.H5.19
Hydrophobic ICL2 L 151 34x52 G.S1 V 34 G.S1.02
Van-der-waals ICL2 L 151 34x52 G.S1 V 34 G.S1.02
Ionic ICL2 K 150 34x51 G.HN E 28 G.HN.52
Polar ICL2 K 150 34x51 G.HN E 28 G.HN.52
Van-der-waals ICL2 K 150 34x51 G.HN E 28 G.HN.52
Hydrophobic H8 N 315 8x47 G.H5 G 352 G.H5.24
Hydrophobic ICL2 L 151 34x52 G.H5 I 343 G.H5.15
Van-der-waals ICL2 L 151 34x52 G.H5 I 343 G.H5.15
Hydrophobic TM2 M 80 2x39 G.H5 C 351 G.H5.23
Van-der-waals TM2 M 80 2x39 G.H5 C 351 G.H5.23
Polar TM6 R 246 6x25 G.h4s6 K 317 G.h4s6.11
Hydrophobic TM6 L 254 6x33 G.H5 L 348 G.H5.20
Polar ICL3 K 243 - G.S6 I 319 G.S6.01
Van-der-waals ICL3 K 243 - G.S6 I 319 G.S6.01
Van-der-waals ICL3 K 243 - G.H4 L 308 G.H4.16
Hydrophobic TM6 K 250 6x29 G.H5 K 345 G.H5.17
Hydrophobic ICL3 K 239 - G.S6 Y 320 G.S6.02
Van-der-waals ICL3 K 239 - G.S6 Y 320 G.S6.02
Hydrophobic ICL2 M 149 34x50 G.H5 T 340 G.H5.12
Hydrophobic ICL2 K 150 34x51 G.H5 I 343 G.H5.15
Polar C-term F 350 - G.H2 R 208 G.H2.04
Hydrophobic C-term F 350 - G.H2 R 208 G.H2.04
Van-der-waals C-term F 350 - G.H2 R 208 G.H2.04
Hydrophobic TM5 L 235 5x72 G.H5 D 337 G.H5.09
Van-der-waals TM5 L 235 5x72 G.H5 D 337 G.H5.09