Go - CXCR4 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.: 86.6

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

PTM Score: 0.8
iPTM Score: 0.8
PAE mean: 12.7


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, Gβ, Gγ, 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 TM3 A 137 3x53 G.H5 C 351 G.H5.23
Polar ICL2 R 148 34x57 G.H5 C 351 G.H5.23
Hydrophobic TM5 L 226 5x65 G.H5 I 344 G.H5.16
Ionic TM6 K 234 6x30 G.h4s6 E 318 G.h4s6.12
Aromatic TM6 K 236 6x32 G.H5 Y 354 G.H5.26
Hydrophobic TM6 K 236 6x32 G.H5 Y 354 G.H5.26
Van-der-waals TM6 K 236 6x32 G.H5 Y 354 G.H5.26
Polar TM6 A 237 6x33 G.H5 L 353 G.H5.25
Hydrophobic TM6 A 237 6x33 G.H5 L 353 G.H5.25
Van-der-waals TM6 A 237 6x33 G.H5 L 353 G.H5.25
Hydrophobic H8 G 306 8x47 G.H5 G 352 G.H5.24
Hydrophobic ICL2 A 141 34x50 G.H5 I 344 G.H5.16
Van-der-waals ICL2 A 141 34x50 G.H5 I 344 G.H5.16
Polar TM3 R 134 3x50 G.H5 C 351 G.H5.23
Hydrophobic TM3 R 134 3x50 G.H5 C 351 G.H5.23
Van-der-waals TM3 R 134 3x50 G.H5 C 351 G.H5.23
Polar TM3 A 137 3x53 G.H5 N 347 G.H5.19
Hydrophobic TM3 A 137 3x53 G.H5 N 347 G.H5.19
Van-der-waals TM3 A 137 3x53 G.H5 N 347 G.H5.19
Polar ICL2 Q 145 34x54 G.hns1 A 31 G.hns1.02
Polar C-term S 352 - G.s4h3 H 236 G.s4h3.09
Hydrophobic C-term S 352 - G.s4h3 H 236 G.s4h3.09
Van-der-waals C-term S 352 - G.s4h3 H 236 G.s4h3.09
Hydrophobic TM6 T 241 6x37 G.H5 L 353 G.H5.25
Van-der-waals TM6 T 241 6x37 G.H5 L 353 G.H5.25
Hydrophobic TM3 I 138 3x54 G.H5 L 348 G.H5.20
Van-der-waals TM3 I 138 3x54 G.H5 L 348 G.H5.20
Hydrophobic ICL2 T 142 34x51 G.S3 L 195 G.S3.01
Van-der-waals ICL2 T 142 34x51 G.S3 L 195 G.S3.01
Polar TM2 T 73 2x39 G.H5 C 351 G.H5.23
Hydrophobic TM2 T 73 2x39 G.H5 C 351 G.H5.23
Ionic TM6 K 234 6x30 G.H5 D 341 G.H5.13
Polar TM6 K 234 6x30 G.H5 D 341 G.H5.13
Hydrophobic TM6 K 234 6x30 G.H5 D 341 G.H5.13
Van-der-waals TM6 K 234 6x30 G.H5 D 341 G.H5.13
Polar ICL3 Q 233 - G.H5 Y 354 G.H5.26
Hydrophobic ICL3 Q 233 - G.H5 Y 354 G.H5.26
Van-der-waals ICL3 Q 233 - G.H5 Y 354 G.H5.26
Polar TM6 T 240 6x36 G.H5 L 353 G.H5.25
Hydrophobic TM6 T 240 6x36 G.H5 L 353 G.H5.25
Van-der-waals TM6 T 240 6x36 G.H5 L 353 G.H5.25
Hydrophobic TM5 L 226 5x65 G.H5 L 348 G.H5.20
Van-der-waals TM5 L 226 5x65 G.H5 L 348 G.H5.20
Van-der-waals C-term F 349 - G.H2 R 206 G.H2.01
Hydrophobic C-term F 349 - G.H2 E 208 G.H2.03
Hydrophobic TM3 I 138 3x54 G.H5 L 353 G.H5.25
Hydrophobic TM3 I 138 3x54 G.H5 I 344 G.H5.16
Polar TM5 S 229 5x68 G.H5 D 341 G.H5.13
Van-der-waals TM5 S 229 5x68 G.H5 D 341 G.H5.13
Polar ICL2 A 141 34x50 G.H5 N 347 G.H5.19
Hydrophobic TM3 R 134 3x50 G.H5 L 353 G.H5.25
Van-der-waals TM3 R 134 3x50 G.H5 L 353 G.H5.25
Hydrophobic ICL3 G 231 - G.h4s6 E 318 G.h4s6.12
Van-der-waals ICL3 G 231 - G.h4s6 E 318 G.h4s6.12
Polar ICL3 H 232 - G.h4s6 E 318 G.h4s6.12
Hydrophobic TM6 L 244 6x40 G.H5 L 353 G.H5.25
Polar ICL3 Q 233 - G.h4s6 P 315 G.h4s6.09
Van-der-waals ICL3 Q 233 - G.h4s6 P 315 G.h4s6.09
Hydrophobic TM6 A 237 6x33 G.H5 L 348 G.H5.20
Polar C-term S 351 - G.s4h3 E 237 G.s4h3.10
Hydrophobic C-term S 351 - G.s4h3 E 237 G.s4h3.10
Van-der-waals C-term S 351 - G.s4h3 E 237 G.s4h3.10
Polar ICL3 Q 233 - G.h4s6 N 316 G.h4s6.10
Hydrophobic ICL3 Q 233 - G.h4s6 N 316 G.h4s6.10
Van-der-waals ICL3 Q 233 - G.h4s6 N 316 G.h4s6.10
Hydrophobic ICL2 A 141 34x50 G.H5 I 343 G.H5.15