patGPCR: A Multitemplate Approach for Improving 3D Structure Prediction of Transmembrane Helices of G-Protein-Coupled Receptors
Table 1
Eight determined GPCR targets and their templates.
Target names
Full names
No. of MT
Templates
Chain
Avg ST
Avg MT
Avg ST MODf
Avg MT
1GZM
A
24%
6.34
✓
CXCR4
CXCR4
932
2KS9
A
30%
4.33
4.26 ± 1.40
✓
7.69
11.4 ± 0.16
2RH1
A
31%
5.77
×
KOR1
kappa opioid receptor
1218
4AMJ
A
27%
3.23
2.98 ± 0.22
✓
3.37
7.11 ± 0.20
4EIY
A
56%
3.40
✓
2Y03
A
36%
1.56
✓
HH1R
Histamine receptor H1
1533
3SN6
R
47%
20.64
12.17 ± 10.65
✓
3.87
17.32 ± 0.24
4AMJ
A
33%
11.17
✓
2RH1
A
44%
2.64
✓
D3
D3 dopamine receptor
1776
2Y00
A
34%
3.40
1.69 ± 0.81
✓
1.75
2.61 ± 0.16
2VT4
A
36%
3.20
✓
1U19
A
31%
4.35
✓
A2A
adenosine A2a receptor
2076
2RH1
A
44%
26.58
3.53 ± 21.52
✓
3.85
7.88 ± 0.30
2VT4
A
35%
4.16
✓
2Z73
A
23%
5.80
✓
2RH1
A
27%
4.39
✓
S1P1
Sphingosine 1-phosphate receptor 1
1031
4EIY
A
54%
5.43
6.67 ± 2.69
✓
10.83
23.71 ± 0.77
4AMJ
A
29%
5.52
✓
2RH1
A
29%
5.00
✓
KOR3
nociceptin opioid receptor
1409
3SN6
R
35%
7.73
3.41 ± 1.67
×
8.71
16.82 ± 0.43
4AMJ
A
37%
4.29
✓
Beta2
beta-2-adrener gic receptor
895
3EML
A
33%
5.60
3.82 ± 2.60
×
1.36
1.54 ± 0.28
4AMJ
A
64%
2.19
✓
Avg
1358.75
36%
6.38
4.81 ± 5.20
5.11
11.05 ± 0.32
Number of conformations generated by MT (multiple-template) patGPCR. Sequence similarity. Average TM RMSD of conformations generated by ST (single-template) patGPCR. Average TM RMSD of conformations generated by MT (multiple-template) patGPCR. SWISS output. Average TM RMSD of conformations generated by ST (single-template) MODELLER. Average TM RMSD of conformations generated by MT (multiple-template) MODELLER.
