G13 - CXCR4 complex model

GPCR CLASS (FAMILY)

A (Rhodopsin)

SPECIES

Homo sapiens

G PROTEIN FAMILY

G12/13

DATE

2023-09-15

3D VIEW

NGL is a WebGL based 3D viewer powered by MMTF.


Tertiary structure confidence

(pLDDT score) avg.: 84.4

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

PTM Score: 0.8
iPTM Score: 0.7
PAE mean: 14.9


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 TM2 R 77 2x43 G.H5 L 376 G.H5.25
Van-der-waals TM2 R 77 2x43 G.H5 L 376 G.H5.25
Hydrophobic TM5 S 229 5x68 G.H5 L 367 G.H5.16
Van-der-waals TM5 S 229 5x68 G.H5 L 367 G.H5.16
Hydrophobic ICL3 Q 233 - G.H5 M 375 G.H5.24
Van-der-waals ICL3 Q 233 - G.H5 M 375 G.H5.24
Hydrophobic TM5 L 226 5x65 G.H5 L 371 G.H5.20
Polar ICL2 A 141 34x50 G.H5 N 370 G.H5.19
Hydrophobic TM3 I 138 3x54 G.H5 L 374 G.H5.23
Hydrophobic ICL2 A 141 34x50 G.H5 I 366 G.H5.15
Van-der-waals ICL2 A 141 34x50 G.H5 I 366 G.H5.15
Polar TM3 R 134 3x50 G.H5 L 374 G.H5.23
Hydrophobic TM3 R 134 3x50 G.H5 L 374 G.H5.23
Van-der-waals TM3 R 134 3x50 G.H5 L 374 G.H5.23
Polar ICL1 K 67 12x48 G.HN F 4 G.HN.04
Hydrophobic ICL1 K 67 12x48 G.HN F 4 G.HN.04
Van-der-waals ICL1 K 67 12x48 G.HN F 4 G.HN.04
Hydrophobic TM6 K 234 6x30 G.H5 L 371 G.H5.20
Van-der-waals TM6 K 234 6x30 G.H5 L 371 G.H5.20
Hydrophobic TM6 K 236 6x32 G.H5 M 375 G.H5.24
Hydrophobic ICL2 T 142 34x51 G.S3 V 216 G.S3.01
Hydrophobic ICL2 A 141 34x50 G.H5 L 367 G.H5.16
Polar ICL2 Q 145 34x54 G.hns1 K 46 G.hns1.02
Hydrophobic ICL2 Q 145 34x54 G.hns1 K 46 G.hns1.02
Van-der-waals ICL2 Q 145 34x54 G.hns1 K 46 G.hns1.02
Hydrophobic TM1 Y 65 1x59 G.HN F 4 G.HN.04
Van-der-waals TM1 Y 65 1x59 G.HN F 4 G.HN.04
Polar ICL2 N 143 34x52 G.s2s3 N 215 G.s2s3.02
Van-der-waals ICL2 N 143 34x52 G.s2s3 N 215 G.s2s3.02
Polar TM3 A 137 3x53 G.H5 N 370 G.H5.19
Van-der-waals TM3 A 137 3x53 G.H5 N 370 G.H5.19
Polar ICL1 K 67 12x48 G.HN L 5 G.HN.05
Hydrophobic TM6 A 237 6x33 G.H5 M 375 G.H5.24
Van-der-waals TM6 A 237 6x33 G.H5 M 375 G.H5.24
Hydrophobic TM6 A 237 6x33 G.H5 L 371 G.H5.20
Polar H8 K 308 8x49 G.H5 Q 377 G.H5.26
Hydrophobic H8 K 308 8x49 G.H5 Q 377 G.H5.26
Van-der-waals H8 K 308 8x49 G.H5 Q 377 G.H5.26
Polar ICL2 N 143 34x52 G.hns1 R 47 G.hns1.03
Hydrophobic TM3 A 137 3x53 G.H5 L 374 G.H5.23
Hydrophobic TM1 G 64 1x58 G.HN F 4 G.HN.04
Van-der-waals TM1 G 64 1x58 G.HN F 4 G.HN.04
Hydrophobic TM3 I 138 3x54 G.H5 L 371 G.H5.20
Hydrophobic ICL2 T 142 34x51 G.H5 K 363 G.H5.12
Hydrophobic ICL2 T 142 34x51 G.H5 I 366 G.H5.15
Polar TM5 S 229 5x68 G.H5 D 364 G.H5.13
Van-der-waals TM5 S 229 5x68 G.H5 D 364 G.H5.13
Polar ICL3 Q 233 - G.H5 H 368 G.H5.17
Hydrophobic ICL3 Q 233 - G.H5 H 368 G.H5.17
Ionic TM6 K 234 6x30 G.H5 D 364 G.H5.13
Polar TM6 K 234 6x30 G.H5 D 364 G.H5.13
Polar ICL1 K 67 12x48 G.HN D 3 G.HN.03
Van-der-waals ICL1 K 67 12x48 G.HN D 3 G.HN.03
Hydrophobic ICL2 N 143 34x52 G.S3 V 216 G.S3.01
Hydrophobic TM2 D 74 2x40 G.H5 L 376 G.H5.25
Van-der-waals TM2 D 74 2x40 G.H5 L 376 G.H5.25
Hydrophobic ICL3 Q 233 - G.H5 K 372 G.H5.21
Van-der-waals ICL3 Q 233 - G.H5 K 372 G.H5.21
Hydrophobic TM3 I 138 3x54 G.H5 L 367 G.H5.16
Van-der-waals TM3 I 138 3x54 G.H5 L 367 G.H5.16