Ggust - CXCR2 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.: 83.8

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

PTM Score: 0.8
iPTM Score: 0.7
PAE mean: 11.3


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
Hydrophobic TM6 A 249 6x33 G.H5 L 348 G.H5.20
Van-der-waals TM6 A 249 6x33 G.H5 L 348 G.H5.20
Hydrophobic TM6 Q 245 6x29 G.H5 F 354 G.H5.26
Van-der-waals TM6 Q 245 6x29 G.H5 F 354 G.H5.26
Hydrophobic TM3 H 150 3x56 G.S3 L 194 G.S3.01
Van-der-waals TM3 H 150 3x56 G.S3 L 194 G.S3.01
Polar TM3 A 147 3x53 G.H5 N 347 G.H5.19
Hydrophobic TM3 A 147 3x53 G.H5 N 347 G.H5.19
Van-der-waals TM3 A 147 3x53 G.H5 N 347 G.H5.19
Polar ICL2 T 152 34x51 G.hns1 A 31 G.hns1.02
Hydrophobic ICL2 T 152 34x51 G.hns1 A 31 G.hns1.02
Van-der-waals ICL2 T 152 34x51 G.hns1 A 31 G.hns1.02
Hydrophobic TM6 I 253 6x37 G.H5 L 353 G.H5.25
Van-der-waals TM6 I 253 6x37 G.H5 L 353 G.H5.25
Hydrophobic ICL3 M 243 - G.H5 L 348 G.H5.20
Van-der-waals ICL3 M 243 - G.H5 L 348 G.H5.20
Hydrophobic TM3 I 148 3x54 G.H5 I 344 G.H5.16
Van-der-waals TM3 I 148 3x54 G.H5 I 344 G.H5.16
Polar ICL3 M 243 - G.H5 D 341 G.H5.13
Hydrophobic ICL3 M 243 - G.H5 D 341 G.H5.13
Van-der-waals ICL3 M 243 - G.H5 D 341 G.H5.13
Van-der-waals ICL3 H 242 - G.H5 D 337 G.H5.09
Hydrophobic TM3 A 147 3x53 G.H5 C 351 G.H5.23
Van-der-waals TM3 A 147 3x53 G.H5 C 351 G.H5.23
Van-der-waals H8 G 318 8x47 G.H5 F 354 G.H5.26
Polar TM3 D 143 3x49 G.H5 C 351 G.H5.23
Van-der-waals TM3 D 143 3x49 G.H5 C 351 G.H5.23
Hydrophobic C-term D 343 - G.h4s6 K 314 G.h4s6.08
Van-der-waals C-term D 343 - G.h4s6 K 314 G.h4s6.08
Hydrophobic TM3 H 150 3x56 G.hns1 R 32 G.hns1.03
Van-der-waals TM3 H 150 3x56 G.hns1 R 32 G.hns1.03
Hydrophobic TM5 A 241 5x68 G.H5 D 341 G.H5.13
Polar ICL2 T 154 34x53 G.hns1 A 31 G.hns1.02
Hydrophobic ICL2 T 154 34x53 G.hns1 A 31 G.hns1.02
Van-der-waals ICL2 T 154 34x53 G.hns1 A 31 G.hns1.02
Polar TM6 R 248 6x32 G.H5 F 354 G.H5.26
Hydrophobic TM6 R 248 6x32 G.H5 F 354 G.H5.26
Van-der-waals TM6 R 248 6x32 G.H5 F 354 G.H5.26
Polar ICL2 R 153 34x52 G.H5 N 347 G.H5.19
Hydrophobic ICL2 R 153 34x52 G.H5 N 347 G.H5.19
Van-der-waals ICL2 R 153 34x52 G.H5 N 347 G.H5.19
Hydrophobic ICL2 A 151 34x50 G.S3 L 194 G.S3.01
Van-der-waals ICL2 A 151 34x50 G.S3 L 194 G.S3.01
Polar C-term D 343 - G.h4s6 E 315 G.h4s6.09
Hydrophobic C-term D 343 - G.h4s6 E 315 G.h4s6.09
Van-der-waals C-term D 343 - G.h4s6 E 315 G.h4s6.09
Van-der-waals ICL2 Q 157 34x56 G.h2s4 E 216 G.h2s4.02
Ionic H8 K 320 8x49 G.H5 D 350 G.H5.22
Polar H8 K 320 8x49 G.H5 D 350 G.H5.22
Van-der-waals H8 K 320 8x49 G.H5 D 350 G.H5.22
Polar ICL3 H 242 - G.H5 D 341 G.H5.13
Hydrophobic ICL3 H 242 - G.H5 D 341 G.H5.13
Van-der-waals ICL3 H 242 - G.H5 D 341 G.H5.13
Hydrophobic TM6 Q 245 6x29 G.H5 K 345 G.H5.17
Van-der-waals TM6 Q 245 6x29 G.H5 K 345 G.H5.17
Polar TM2 S 81 2x37 G.H5 D 350 G.H5.22
Van-der-waals TM2 S 81 2x37 G.H5 D 350 G.H5.22
Hydrophobic ICL2 T 154 34x53 G.hns1 D 30 G.hns1.01
Polar ICL2 A 151 34x50 G.H5 N 347 G.H5.19
Van-der-waals ICL2 A 151 34x50 G.H5 N 347 G.H5.19
Hydrophobic ICL2 T 152 34x51 G.S1 T 33 G.S1.01
Van-der-waals ICL2 T 152 34x51 G.S1 T 33 G.S1.01
Hydrophobic TM3 V 149 3x55 G.S3 L 194 G.S3.01
Van-der-waals TM3 V 149 3x55 G.S3 L 194 G.S3.01
Hydrophobic TM6 V 252 6x36 G.H5 L 353 G.H5.25
Van-der-waals TM6 V 252 6x36 G.H5 L 353 G.H5.25
Hydrophobic ICL3 M 243 - G.H5 K 345 G.H5.17
Van-der-waals ICL3 M 243 - G.H5 K 345 G.H5.17
Van-der-waals C-term P 346 - G.h4s6 E 318 G.h4s6.12
Polar H8 Q 319 8x48 G.H5 F 354 G.H5.26
Hydrophobic H8 Q 319 8x48 G.H5 F 354 G.H5.26
Van-der-waals H8 Q 319 8x48 G.H5 F 354 G.H5.26
Hydrophobic ICL2 Q 157 34x56 G.h2s4 G 217 G.h2s4.03
Van-der-waals ICL2 Q 157 34x56 G.h2s4 G 217 G.h2s4.03
Hydrophobic H8 G 318 8x47 G.H5 G 352 G.H5.24
Ionic ICL2 R 153 34x52 G.H5 D 350 G.H5.22
Polar ICL2 R 153 34x52 G.H5 D 350 G.H5.22
Hydrophobic ICL2 R 153 34x52 G.H5 D 350 G.H5.22
Van-der-waals ICL2 R 153 34x52 G.H5 D 350 G.H5.22
Hydrophobic ICL3 M 243 - G.H5 I 344 G.H5.16
Van-der-waals ICL3 M 243 - G.H5 I 344 G.H5.16
Hydrophobic ICL2 A 151 34x50 G.S1 V 34 G.S1.02
Van-der-waals ICL2 A 151 34x50 G.S1 V 34 G.S1.02
Hydrophobic TM5 L 238 5x65 G.H5 L 348 G.H5.20
Van-der-waals TM5 L 238 5x65 G.H5 L 348 G.H5.20
Ionic TM5 K 240 5x67 G.s2s3 D 193 G.s2s3.02
Polar TM5 K 240 5x67 G.s2s3 D 193 G.s2s3.02
Van-der-waals TM5 K 240 5x67 G.s2s3 D 193 G.s2s3.02
Hydrophobic ICL2 T 152 34x51 G.hns1 R 32 G.hns1.03
Van-der-waals ICL2 T 152 34x51 G.hns1 R 32 G.hns1.03
Polar TM2 T 83 2x39 G.H5 C 351 G.H5.23
Hydrophobic TM2 T 83 2x39 G.H5 C 351 G.H5.23
Van-der-waals TM2 T 83 2x39 G.H5 C 351 G.H5.23
Polar ICL2 R 153 34x52 G.H5 E 346 G.H5.18
Van-der-waals ICL2 R 153 34x52 G.H5 E 346 G.H5.18
Hydrophobic TM3 I 148 3x54 G.H5 L 348 G.H5.20
Van-der-waals TM3 I 148 3x54 G.H5 L 348 G.H5.20
Hydrophobic TM5 T 237 5x64 G.H5 I 344 G.H5.16
Hydrophobic ICL2 A 151 34x50 G.H5 I 343 G.H5.15
Van-der-waals ICL2 A 151 34x50 G.H5 I 343 G.H5.15
Hydrophobic TM5 L 238 5x65 G.H5 I 344 G.H5.16
Polar TM3 R 144 3x50 G.H5 C 351 G.H5.23
Hydrophobic TM3 R 144 3x50 G.H5 C 351 G.H5.23
Van-der-waals TM3 R 144 3x50 G.H5 C 351 G.H5.23
Polar TM2 T 83 2x39 G.H5 D 350 G.H5.22
Van-der-waals ICL3 H 242 - G.s2s3 K 192 G.s2s3.01
Polar ICL2 R 153 34x52 G.h3s5 T 261 G.h3s5.02
Van-der-waals ICL2 R 153 34x52 G.h3s5 T 261 G.h3s5.02
Hydrophobic TM3 R 144 3x50 G.H5 L 353 G.H5.25
Van-der-waals TM3 R 144 3x50 G.H5 L 353 G.H5.25
Polar TM6 A 249 6x33 G.H5 L 353 G.H5.25
Hydrophobic TM6 A 249 6x33 G.H5 L 353 G.H5.25
Van-der-waals TM6 A 249 6x33 G.H5 L 353 G.H5.25
Hydrophobic TM3 I 148 3x54 G.H5 L 353 G.H5.25
Van-der-waals TM3 I 148 3x54 G.H5 L 353 G.H5.25