PDB Data Distribution by Experimental Method and Molecular Type

Molecular TypeX-rayEMNMRIntegrativeMultiple methodsNeutronOtherTotal
Protein (only)175,80320,11912,6993372188332209,291
Protein/Oligosaccharide10,2663,368348111013,688
Protein/NA9,0045,8532862470015,174
Nucleic acid (only)3,0502001,548215314,819
Other17313333000222
Oligosaccharide (only)1106010422
Total 198,30729,55314,6063742528737243,216

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

188,436 have a structure factor file
11,505 have an NMR restraint file
6,038 have a chemical shifts file
4,414 have NMR unified data files (NEF and/or NMR-STAR format files)
29,008 3DEM maps were used for the determination of 29,248 PDB structures

PDB Structures with Small Molecule Data

184,464 with any non-polymer small molecules
182,809 with non-polymer small molecules of 100-300 Da
64,450 with non-polymer small molecules of 300-500 Da
44,359 with non-polymer small molecules of 500-1200 Da
47,124 with author-designated Ligand/s of Interest
4,654 with a biologically interesting short oligomer or oligomer-like BIRD molecules
13,874 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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