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. Author manuscript; available in PMC: 2016 May 1.
Published in final edited form as: J Comput Aided Mol Des. 2015 Jan 24;29(5):421–439. doi: 10.1007/s10822-015-9831-x

Table 4.

Root mean-squared deviation (RMSD) values in Angstroms for re-docking of native ligands into corresponding crystal structure models. Results are listed by Protein Data Bank (PDB) ID. Representative structures were those from the envelope similarity groups that were appropriate for docking

PDB ID RMSD PDB ID RMSD PDB ID RMSD PDB ID RMSD
1FM6 3.15 2P4Y 2.56 2I4J 3.06 2VV0 2.20
1FM9 3.16 2POB1 1.33 2I4P 2.83 2VV1 2.47
1K74 2.97 2Q5P1 1.01 2I4Z 3.04 2VV2 2.94
1RDT 2.97 2Q5S 2.40 20M9 2.49 3B3K 3.35
1WM01 0.95 2VSR 2.34 2PRG1 1.17 3CDP 3.46
1ZGY1 1.25 3DZU1 1.10 2Q6R 2.08 3CS8 2.91
2G0G1 0.92 4PRG1 1.75 2Q6S 4.13 3DZY 3.08
2G0H1 1.08 2FVJ1 0.56 2VST 2.80 3E00 2.41
2HFP 3.28
1

Indicates structures that showed successful re-docking results (RMSD < 2.0 Å).