Article Figures & Data
Figures
Tables
Data Supplement
- Supplemental Data -
Figure S1. The computationally predicted interaction of ZINC13407541 and its two analogs, 13a and 8n, with the N terminal domain of FGF23 (PDB code: 5W21) Q156A mutant shown in (A) 3D structure; in (B) (C) and (D) 2D residue-contacting map for ZINC13407541, 13a, and 8n, respectively.
Table S1. The raw results of hydrogen-bond analyses on binding poses of ZINC13407541 to the N-terminal domain of FGF23 in the molecular docking.
Table S2. The raw results of hydrogen-bond analyses on binding poses of 13a to the N-terminal domain of FGF23 in the molecular docking.
Table S3. The raw results of hydrogen-bond analyses on binding poses of 8n to the N-terminal domain of FGF23 in the molecular docking.
Table S4. The conservation scores in descending order of the residues shown in Table 1 in the main text.
Table S5. The computationally estimated free energies of binding (ΔG) with standard errors of ZINC13407541, 13a, and 8n to the N-terminal domain of FGF23 Q156A mutant using AutoDock VinaMPI and KDEEP.
- Supplemental PDB 1 -
Supplemental Auxiliary Production PDB 1. FGF23.pdb
- Supplemental PDB 2 -
Supplemental Auxiliary Production PDB 2. PDB_5W21.pdb
- Supplemental PDB 3 -
Supplemental Auxiliary Production PDB 3. ZINC13407541/ZINC13407541_Pose_1.pdb
- Supplemental PDB 4 -
Supplemental Auxiliary Production PDB 4. ZINC13407541/ZINC13407541_Pose_2.pdb
- Supplemental PDB 5 -
Supplemental Auxiliary Production PDB 5. ZINC13407541/ZINC13407541_Pose_3.pdb
- Supplemental PDB 6 -
Supplemental Auxiliary Production PDB 6. ZINC13407541/ZINC13407541_Pose_4.pdb
- Supplemental PDB 7 -
Supplemental Auxiliary Production PDB 7. ZINC13407541/ZINC13407541_Pose_5.pdb
- Supplemental PDB 8 -
Supplemental Auxiliary Production PDB 8. ZINC13407541/ZINC13407541_Pose_6.pdb
- Supplemental PDB 9 -
Supplemental Auxiliary Production PDB 9. ZINC13407541/ZINC13407541_Pose_7.pdb
- Supplemental PDB 10 -
Supplemental Auxiliary Production PDB 10. ZINC13407541/ZINC13407541_Pose_8.pdb
- Supplemental PDB 11 -
Supplemental Auxiliary Production PDB 11. ZINC13407541/ZINC13407541_Pose_9.pdb
- Supplemental PDB 12 -
Supplemental Auxiliary Production PDB 12. ZINC13407541/ZINC13407541_Pose_10.pdb
- Supplemental PDB 13 -
Supplemental Auxiliary Production PDB 13. ZINC13407541/ZINC13407541_Pose_11.pdb
- Supplemental PDB 14 -
Supplemental Auxiliary Production PDB 14. ZINC13407541/ZINC13407541_Pose_12.pdb
- Supplemental PDB 15 -
Supplemental Auxiliary Production PDB 15. ZINC13407541/ZINC13407541_Pose_13.pdb
- Supplemental PDB 16 -
Supplemental Auxiliary Production PDB 16. ZINC13407541/ZINC13407541_Pose_14.pdb
- Supplemental PDB 17 -
Supplemental Auxiliary Production PDB 17. ZINC13407541/ZINC13407541_Pose_15.pdb
- Supplemental PDB 18 -
Supplemental Auxiliary Production PDB 18. ZINC13407541/ZINC13407541_Pose_16.pdb
- Supplemental PDB 19 -
Supplemental Auxiliary Production PDB 19. ZINC13407541/ZINC13407541_Pose_17.pdb
- Supplemental PDB 20 -
Supplemental Auxiliary Production PDB 20. ZINC13407541/ZINC13407541_Pose_18.pdb
- Supplemental PDB 21 -
Supplemental Auxiliary Production PDB 21. ZINC13407541/ZINC13407541_Pose_19.pdb
- Supplemental PDB 22 -
Supplemental Auxiliary Production PDB 22. ZINC13407541/ZINC13407541_Pose_20.pdb
- Supplemental PDB 23 -
Supplemental Auxiliary Production PDB 23. 13a/13a_Pose_1.pdb
- Supplemental PDB 24 -
Supplemental Auxiliary Production PDB 24. 13a/13a_Pose_2.pdb
- Supplemental PDB 25 -
Supplemental Auxiliary Production PDB 25. 13a/13a_Pose_3.pdb
- Supplemental PDB 26 -
Supplemental Auxiliary Production PDB 26. 13a/13a_Pose_4.pdb
- Supplemental PDB 27 -
Supplemental Auxiliary Production PDB 27. 13a/13a_Pose_5.pdb
- Supplemental PDB 28 -
Supplemental Auxiliary Production PDB 28. 13a/13a_Pose_6.pdb
- Supplemental PDB 29 -
Supplemental Auxiliary Production PDB 29. 13a/13a_Pose_7.pdb
- Supplemental PDB 30 -
Supplemental Auxiliary Production PDB 30. 13a/13a_Pose_8.pdb
- Supplemental PDB 31 -
Supplemental Auxiliary Production PDB 31. 13a/13a_Pose_9.pdb
- Supplemental PDB 32 -
Supplemental Auxiliary Production PDB 32. 13a/13a_Pose_10.pdb
- Supplemental PDB 33 -
Supplemental Auxiliary Production PDB 33. 13a/13a_Pose_11.pdb
- Supplemental PDB 34 -
Supplemental Auxiliary Production PDB 34. 13a/13a_Pose_12.pdb
- Supplemental PDB 35 -
Supplemental Auxiliary Production PDB 35. 13a/13a_Pose_13.pdb
- Supplemental PDB 36 -
Supplemental Auxiliary Production PDB 36. 13a/13a_Pose_14.pdb
- Supplemental PDB 37 -
Supplemental Auxiliary Production PDB 37. 13a/13a_Pose_15.pdb
- Supplemental PDB 38 -
Supplemental Auxiliary Production PDB 38. 13a/13a_Pose_16.pdb
- Supplemental PDB 39 -
Supplemental Auxiliary Production PDB 39. 13a/13a_Pose_17.pdb
- Supplemental PDB 40 -
Supplemental Auxiliary Production PDB 40. 13a/13a_Pose_18.pdb
- Supplemental PDB 41 -
Supplemental Auxiliary Production PDB 41. 13a/13a_Pose_19.pdb
- Supplemental PDB 42 -
Supplemental Auxiliary Production PDB 42. 13a/13a_Pose_20.pdb
- Supplemental PDB 43 -
Supplemental Auxiliary Production PDB 43. 8n/8n_Pose_1.pdb
- Supplemental PDB 44 -
Supplemental Auxiliary Production PDB 44. 8n/8n_Pose_2.pdb
- Supplemental PDB 45 -
Supplemental Auxiliary Production PDB 45. 8n/8n_Pose_3.pdb
- Supplemental PDB 46 -
Supplemental Auxiliary Production PDB 46. 8n/8n_Pose_4.pdb
- Supplemental PDB 47 -
Supplemental Auxiliary Production PDB 47. 8n/8n_Pose_5.pdb
- Supplemental PDB 48 -
Supplemental Auxiliary Production PDB 48. 8n/8n_Pose_6.pdb
- Supplemental PDB 49 -
Supplemental Auxiliary Production PDB 49. 8n/8n_Pose_7.pdb
- Supplemental PDB 50 -
Supplemental Auxiliary Production PDB 50. 8n/8n_Pose_8.pdb
- Supplemental PDB 51 -
Supplemental Auxiliary Production PDB 51. 8n/8n_Pose_9.pdb
- Supplemental PDB 52 -
Supplemental Auxiliary Production PDB 52. 8n/8n_Pose_10.pdb
- Supplemental PDB 53 -
Supplemental Auxiliary Production PDB 53. 8n/8n_Pose_11.pdb
- Supplemental PDB 54 -
Supplemental Auxiliary Production PDB 54. 8n/8n_Pose_12.pdb
- Supplemental PDB 55 -
Supplemental Auxiliary Production PDB 55. 8n/8n_Pose_13.pdb
- Supplemental PDB 56 -
Supplemental Auxiliary Production PDB 56. 8n/8n_Pose_14.pdb
- Supplemental PDB 57 -
Supplemental Auxiliary Production PDB 57. 8n/8n_Pose_15.pdb
- Supplemental PDB 58 -
Supplemental Auxiliary Production PDB 58. 8n/8n_Pose_16.pdb
- Supplemental PDB 59 -
Supplemental Auxiliary Production PDB 59. 8n/8n_Pose_17.pdb
- Supplemental PDB 60 -
Supplemental Auxiliary Production PDB 60. 8n/8n_Pose_18.pdb
- Supplemental PDB 61 -
Supplemental Auxiliary Production PDB 61. 8n/8n_Pose_19.pdb
- Supplemental PDB 62 -
Supplemental Auxiliary Production PDB 62. 8n/8n_Pose_20.pdb
- Supplemental PDB 63 -
Supplemental Auxiliary Production PDB 63. Q156A/FGF23_Q156A.pdb
- Supplemental PDB 64 -
Supplemental Auxiliary Production PDB 64. Q156A/ZINC13407541_Pose_1.pdb
- Supplemental PDB 65 -
Supplemental Auxiliary Production PDB 65. Q156A/13a_Pose_1.pdb
- Supplemental PDB 66 -
Supplemental Auxiliary Production PDB 66. Q156A/8n_Pose_1.pdb
- Supplemental Data -