Ggust - CCR5 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.: 86.4

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

PTM Score: 0.8
iPTM Score: 0.8
PAE mean: 11.8


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 ICL2 R 140 34x57 G.H5 C 351 G.H5.23
Hydrophobic ICL2 R 140 34x57 G.H5 C 351 G.H5.23
Van-der-waals ICL2 R 140 34x57 G.H5 C 351 G.H5.23
Hydrophobic ICL2 A 133 34x50 G.H5 I 343 G.H5.15
Hydrophobic TM6 L 236 6x36 G.H5 G 352 G.H5.24
Van-der-waals TM6 L 236 6x36 G.H5 G 352 G.H5.24
Hydrophobic C-term V 350 - G.H2 K 209 G.H2.05
Ionic TM6 K 229 6x29 G.h4s6 D 316 G.h4s6.10
Polar TM6 K 229 6x29 G.h4s6 D 316 G.h4s6.10
Hydrophobic TM4 T 141 4x38 G.HN E 28 G.HN.52
Polar ICL3 R 225 - G.S6 S 321 G.S6.03
Van-der-waals ICL3 R 225 - G.S6 S 321 G.S6.03
Hydrophobic TM5 L 221 5x65 G.H5 I 344 G.H5.16
Hydrophobic ICL2 V 134 34x51 G.H5 F 336 G.H5.08
Hydrophobic ICL2 V 134 34x51 G.H5 I 343 G.H5.15
Hydrophobic C-term L 352 - G.H2 R 208 G.H2.04
Hydrophobic ICL2 L 137 34x54 G.H5 I 343 G.H5.15
Polar TM6 N 226 6x26 G.h4s6 E 318 G.h4s6.12
Hydrophobic TM6 N 226 6x26 G.h4s6 E 318 G.h4s6.12
Van-der-waals TM6 N 226 6x26 G.h4s6 E 318 G.h4s6.12
Hydrophobic ICL3 R 225 - G.S6 Y 320 G.S6.02
Van-der-waals ICL3 R 225 - G.S6 Y 320 G.S6.02
Hydrophobic ICL2 L 137 34x54 G.hns1 R 32 G.hns1.03
Hydrophobic TM6 K 229 6x29 G.H5 K 345 G.H5.17
Hydrophobic C-term Y 339 - G.S1 K 35 G.S1.03
Van-der-waals C-term Y 339 - G.S1 K 35 G.S1.03
Hydrophobic TM5 C 224 5x68 G.H5 I 344 G.H5.16
Hydrophobic TM5 T 220 5x64 G.H5 I 344 G.H5.16
Ionic ICL2 K 138 34x55 G.s2s3 D 193 G.s2s3.02
Polar ICL2 K 138 34x55 G.s2s3 D 193 G.s2s3.02
Hydrophobic ICL2 K 138 34x55 G.s2s3 D 193 G.s2s3.02
Van-der-waals ICL2 K 138 34x55 G.s2s3 D 193 G.s2s3.02
Hydrophobic TM3 V 130 3x54 G.H5 L 348 G.H5.20
Van-der-waals TM3 V 130 3x54 G.H5 L 348 G.H5.20
Polar C-term Y 339 - G.h2s4 G 217 G.h2s4.03
Hydrophobic C-term Y 339 - G.h2s4 G 217 G.h2s4.03
Polar ICL3 R 225 - G.S6 I 319 G.S6.01
Hydrophobic TM3 V 130 3x54 G.H5 I 344 G.H5.16
Polar ICL2 A 133 34x50 G.H5 N 347 G.H5.19
Ionic H8 K 303 8x49 G.H5 E 346 G.H5.18
Polar H8 K 303 8x49 G.H5 E 346 G.H5.18
Van-der-waals H8 K 303 8x49 G.H5 E 346 G.H5.18
Hydrophobic C-term L 352 - G.H3 S 252 G.H3.11
Van-der-waals C-term L 352 - G.H3 S 252 G.H3.11
Ionic H8 K 303 8x49 G.H5 D 350 G.H5.22
Polar H8 K 303 8x49 G.H5 D 350 G.H5.22
Van-der-waals H8 K 303 8x49 G.H5 D 350 G.H5.22
Hydrophobic C-term R 341 - G.h2s4 E 216 G.h2s4.02
Van-der-waals C-term R 341 - G.h2s4 E 216 G.h2s4.02
Hydrophobic C-term T 340 - G.h2s4 E 216 G.h2s4.02
Van-der-waals C-term T 340 - G.h2s4 E 216 G.h2s4.02
Hydrophobic TM6 I 240 6x40 G.H5 L 353 G.H5.25
Hydrophobic C-term I 348 - G.H2 I 212 G.H2.08
Van-der-waals C-term I 348 - G.H2 I 212 G.H2.08
Hydrophobic H8 G 301 8x47 G.H5 G 352 G.H5.24
Hydrophobic TM2 T 65 2x39 G.H5 C 351 G.H5.23
Polar H8 E 302 8x48 G.H5 F 354 G.H5.26
Hydrophobic H8 E 302 8x48 G.H5 F 354 G.H5.26
Van-der-waals H8 E 302 8x48 G.H5 F 354 G.H5.26
Ionic TM6 K 228 6x28 G.h4s6 E 315 G.h4s6.09
Polar TM6 K 228 6x28 G.h4s6 E 315 G.h4s6.09
Hydrophobic TM6 K 228 6x28 G.h4s6 E 315 G.h4s6.09
Van-der-waals TM6 K 228 6x28 G.h4s6 E 315 G.h4s6.09
Hydrophobic TM6 A 233 6x33 G.H5 L 348 G.H5.20
Hydrophobic TM5 L 221 5x65 G.H5 L 348 G.H5.20
Van-der-waals ICL2 V 134 34x51 G.s2s3 K 192 G.s2s3.01
Hydrophobic C-term I 348 - G.H3 Y 258 G.H3.17
Hydrophobic ICL2 A 133 34x50 G.H5 I 344 G.H5.16
Van-der-waals ICL2 A 133 34x50 G.H5 I 344 G.H5.16
Hydrophobic ICL2 L 137 34x54 G.hns1 A 31 G.hns1.02
Polar ICL2 R 140 34x57 G.H5 N 347 G.H5.19
Hydrophobic TM6 K 229 6x29 G.H5 F 354 G.H5.26
Van-der-waals TM6 K 229 6x29 G.H5 F 354 G.H5.26
Polar TM3 A 129 3x53 G.H5 N 347 G.H5.19
Hydrophobic TM3 A 129 3x53 G.H5 N 347 G.H5.19
Van-der-waals TM3 A 129 3x53 G.H5 N 347 G.H5.19
Hydrophobic TM3 R 126 3x50 G.H5 L 353 G.H5.25
Hydrophobic ICL2 L 137 34x54 G.S3 L 194 G.S3.01
Polar TM6 R 232 6x32 G.H5 F 354 G.H5.26
Aromatic TM6 R 232 6x32 G.H5 F 354 G.H5.26
Hydrophobic TM6 R 232 6x32 G.H5 F 354 G.H5.26
Van-der-waals TM6 R 232 6x32 G.H5 F 354 G.H5.26
Van-der-waals H8 G 301 8x47 G.H5 F 354 G.H5.26
Hydrophobic H8 K 303 8x49 G.H5 K 349 G.H5.21
Hydrophobic ICL2 V 134 34x51 G.S3 L 194 G.S3.01
Van-der-waals ICL2 V 134 34x51 G.S3 L 194 G.S3.01
Polar C-term S 342 - G.h2s4 E 216 G.h2s4.02
Hydrophobic C-term S 342 - G.h2s4 E 216 G.h2s4.02
Van-der-waals C-term S 342 - G.h2s4 E 216 G.h2s4.02
Hydrophobic TM6 L 236 6x36 G.H5 L 353 G.H5.25
Hydrophobic ICL2 K 138 34x55 G.hns1 R 32 G.hns1.03
Van-der-waals ICL2 K 138 34x55 G.hns1 R 32 G.hns1.03
Polar TM5 C 224 5x68 G.H5 D 341 G.H5.13
Hydrophobic TM5 C 224 5x68 G.H5 D 341 G.H5.13
Van-der-waals TM5 C 224 5x68 G.H5 D 341 G.H5.13
Hydrophobic TM3 A 129 3x53 G.H5 C 351 G.H5.23
Van-der-waals TM3 A 129 3x53 G.H5 C 351 G.H5.23
Hydrophobic ICL2 V 134 34x51 G.s2s3 D 193 G.s2s3.02
Hydrophobic ICL2 A 133 34x50 G.H5 T 340 G.H5.12
Polar ICL3 R 225 - G.H5 D 341 G.H5.13
Polar ICL3 R 225 - G.S6 H 322 G.S6.04
Hydrophobic TM6 I 237 6x37 G.H5 L 353 G.H5.25
Polar TM3 R 126 3x50 G.H5 C 351 G.H5.23
Hydrophobic TM3 R 126 3x50 G.H5 C 351 G.H5.23
Van-der-waals TM3 R 126 3x50 G.H5 C 351 G.H5.23