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. 2017 Aug 3;6:e27711. doi: 10.7554/eLife.27711

Table 2.

Cβ-Cβ and N-Cβ interresidue distance restraints, measured in the molecular models of the CRF- and dFXCRF(12-41)-CRF1R complexes.

DOI: http://dx.doi.org/10.7554/eLife.27711.012

CRF1R bound to agonist CRF
No CRF-CRF1R residue pair Region of
CRF
Region of CRF1R Cβ-Cβ distance [Å]
Constraint Measured
1 H13-F330 N-term Helix VI 10.0 5.1
2 H13-F344 N-term Helix VII 10.0 9.4
3 L15-Q173 N-term Helix II 10.0 7.1
4 E17-I345 N-term Helix VII 10.0 9.2
5 V18-V120 C-term Helix I 10.0 6.4
6 A31-E104 C-term Hinge 10.0 8.6
7 S33-Y73 C-term ECD 10.0 6.7
CRF1R bound to Antagonist dFXCRF(12-41)
No CRF1R-dFXCRF(12-41) residue pair Region of dFXCRF(12-41) Region of CRF1R Cβ-Cβ or N-Cβ* distance [Å]
Constraint Measured
1 F12-L329 N-term Helix VI 5.0* 4.4*
2 F12-F330 N-term Helix VI 5.0* 4.6*
3 F12-N348 N-term Helix VII 5.0* 4.8*
4 H13-L329 N-term Helix VI 10.0 6.7
5 H13-F330 N-term Helix VI 10.0 5.5
6 H13-F344 N-term Helix 10.0 5.0
7 L14-N123 N-term Helix I 10.0 9.1
8 L15-R341 N-term Helix VII 10.0 5.9
9 L15-I345 N-term Helix VII 10.0 6.8
10 E17-N123 N-term Helix I 10.0 7.4
11 E17-Q173 N-term Helix II 10.0 6.3
12 E17-I345 N-term Helix VII 10.0 6.1
13 V18-V120 C-term Helix I 10.0 4.7
14 A31-E104 C-term Hinge 10.0 4.3
15 S33-Y73 C-term ECD 10.0 6.7

*Pair-wise crosslinking between N-terminal ClAc in the peptide and Cys thiol in CRF1R.