4BWW

Crystal structure of spin labelled azurin T21R1.

Summary for 4BWW

• Entry DOI: 10.2210/pdb4bww/pdb
• Descriptor: AZURIN, COPPER (II) ION, GLYCEROL, ... (6 entities in total)
• Functional Keywords: electron transport
• Biological source: PSEUDOMONAS AERUGINOSA
• Cellular location: Periplasm: P00282
• Total number of polymer chains: 4
• Total formula weight: 59411.05

Authors

Hagelueken, G. (deposition date: 2013-07-04, release date: 2014-06-11, Last modification date: 2023-12-20)

Primary citation

Florin, N.,Schiemann, O.,Hagelueken, G.
High-Resolution Crystal Structure of Spin Labelled (T21R1) Azurin from Pseudomonas Aeruginosa: A Challenging Structural Benchmark for in Silico Spin Labelling Algorithms.
Bmc Struct.Biol., 14:16-, 2014

PubMed Abstract: EPR-based distance measurements between spin labels in proteins have become a valuable tool in structural biology. The direct translation of the experimental distances into structural information is however often impaired by the intrinsic flexibility of the spin labelled side chains. Different algorithms exist that predict the approximate conformation of the spin label either by using pre-computed rotamer libraries of the labelled side chain (rotamer approach) or by simply determining its accessible volume (accessible volume approach). Surprisingly, comparisons with many experimental distances have shown that both approaches deliver the same distance prediction accuracy of about 3 Å.

PubMed: 24884565
DOI: 10.1186/1472-6807-14-16

Experimental method

X-RAY DIFFRACTION (1.48 Å)