PDB Data Distribution by Experimental Method and Molecular Type

Molecular TypeX-rayEMNMRIntegrativeMultiple methodsNeutronOtherTotal
Protein (only)176,82220,62412,7163432228232210,841
Protein/Oligosaccharide10,2933,413348111013,760
Protein/NA9,0206,0042872470015,342
Nucleic acid (only)3,0982101,556315314,886
Other17413333000223
Oligosaccharide (only)1106010422
Total 199,41830,26414,6323812568637245,074

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

189,550 have a structure factor file
11,505 have an NMR restraint file
6,038 have a chemical shifts file
4,440 have NMR unified data files (NEF and/or NMR-STAR format files)
29,718 3DEM maps were used for the determination of 29,959 PDB structures

PDB Structures with Small Molecule Data

185,687 with any non-polymer small molecules
184,017 with non-polymer small molecules of 100-300 Da
64,966 with non-polymer small molecules of 300-500 Da
44,758 with non-polymer small molecules of 500-1200 Da
48,027 with author-designated Ligand/s of Interest
4,663 with a biologically interesting short oligomer or oligomer-like BIRD molecules
13,946 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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