PDB Data Distribution by Experimental Method and Molecular Type

Molecular TypeX-rayEMNMRIntegrativeMultiple methodsNeutronOtherTotal
Protein (only)180,89123,20812,8163502298432217,610
Protein/Oligosaccharide10,4953,745348111014,294
Protein/NA9,2066,7732872680016,300
Nucleic acid (only)3,1582521,580315315,012
Other17827354000244
Oligosaccharide (only)1106010422
Total 203,93934,00514,7583912648837253,482

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

194,095 have a structure factor file
11,505 have an NMR restraint file
6,038 have a chemical shifts file
4,567 have NMR unified data files (NEF and/or NMR-STAR format files)
33,437 3DEM maps were used for the determination of 33,685 PDB structures

PDB Structures with Small Molecule Data

191,934 with any non-polymer small molecules
190,223 with non-polymer small molecules of 100-300 Da
67,553 with non-polymer small molecules of 300-500 Da
46,668 with non-polymer small molecules of 500-1200 Da
52,666 with author-designated Ligand/s of Interest
5,224 with a biologically interesting short oligomer or oligomer-like BIRD molecules
14,494 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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