PDB Data Distribution by Experimental Method and Molecular Type

Molecular TypeX-rayEMNMRIntegrativeMultiple methodsNeutronOtherTotal
Protein (only)173,69919,02412,6583362148432206,047
Protein/Oligosaccharide10,1593,210348102013,423
Protein/NA8,9195,5912862370014,826
Nucleic acid (only)2,9801891,542215314,732
Other17110333000217
Oligosaccharide (only)1106010422
Total 195,93928,02414,5593722478937239,267

Multiple Methods: Atomic structures substantially underpinned by more than one experimental method currently supported by the PDB archive (NMR, 3DEM, or crystallography/diffraction) with or without some additional data provided by currently unsupported methods.

Integrative Methods: Atomic structures with all data coming from currently unsupported methods by the PDB, or only partially underpinned by an experimental method currently supported by the PDB, or partially/entirely non-atomic structures supported by the PDB-IHM.

PDB Structures with Experimental Data

186,061 have a structure factor file
11,505 have an NMR restraint file
6,038 have a chemical shifts file
4,367 have NMR unified data files (NEF and/or NMR-STAR format files)
27,473 3DEM maps were used for the determination of 27,722 PDB structures

PDB Structures with Small Molecule Data

181,425 with any non-polymer small molecules
179,792 with non-polymer small molecules of 100-300 Da
63,189 with non-polymer small molecules of 300-500 Da
43,419 with non-polymer small molecules of 500-1200 Da
44,952 with author-designated Ligand/s of Interest
4,620 with a biologically interesting short oligomer or oligomer-like BIRD molecules
13,604 with with branched entities of oligosaccharides

Inner most layer represents the distribution by experimental methods, X-ray is shown in blue; EM in orange; NMR in green; Integrative in Red; Multiple methods in yellow; Neutron in pink; Other in grey. Outer most layer further shows the distribution by molecular type of each correspond experimental method.

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