Top 20 HETNAM entries based on 58,469 PDB entries at better than 2.5 Angstrom resolution (arbitrary cut):
Number of entries in histogram: 14864
Total number of instances : 195481
0 14502 0.0742 GOL (glycerol)
1 10952 0.0560 SO4
2 8064 0.0413 ZN
3 7628 0.0390 MG
4 6930 0.0355 MSE (SeMet)
5 6685 0.0342 CA
6 6555 0.0335 EDO (Ethylene glycol)
7 6315 0.0323 CL
8 5856 0.0300 HEM
9 3922 0.0201 NA
10 3647 0.0187 NAG
11 3148 0.0161 PO4
12 2360 0.0121 ACT (Acetate)
13 1874 0.0096 MN
14 1561 0.0080 NAP
15 1387 0.0071 K
16 1338 0.0068 FAD
17 1277 0.0065 PLP (PYRIDOXAL-5'-PHOSPHATE)
18 1228 0.0063 TRS (Tris buffer)
19 1205 0.0062 FMN
(numeric columns are ranking; count; frequency)
No electron density, sorry.
Clearly I should be adding more glycerols.
Phil Jeffrey
Princeton
hi all,
Sorry if this has been asked before. I wonder if there is an list or library of most commonly co-crystallized ligands(or solvent molecules) available? Better if the electron density maps of the ligands are also shown with different resolutions. That
could help a lot for an inexperienced crystallographer (like me) to quickly identify extra electron densities in a new structure, by simply comparing the electron density shapes.
I remember a few days ago somebody asked about a PEG electron density, which looks like a string of beads. If I knew that earlier, I could have modeled it in, instead of waters...
Thanks,
Jeremy