PDBsum entry 3gt3

Hydrolase

PDB id: 3gt3

Contents

Protein chain

279 a.a. *

Ligands

BRV ×3

BRV-SO4

SO4

Waters ×417

* Residue conservation analysis

PDB id:

3gt3

Name:

Hydrolase

Title:

Structure of proteinase k with the mad triangle b3c

Structure:

Proteinase k. Chain: a. Synonym: tritirachium alkaline proteinase, endopeptidase k. Ec: 3.4.21.64

Source:

Engyodontium album. Organism_taxid: 37998

Resolution:

1.50Å R-factor: 0.145 R-free: 0.184

Authors:

T.Beck,T.Gruene,G.M.Sheldrick

Key ref:

T.Beck et al. (2010). The magic triangle goes MAD: experimental phasing with a bromine derivative. Acta Crystallogr D Biol Crystallogr, 66, 374-380. PubMed id: 20382990

Date:

27-Mar-09 Release date: 14-Apr-09

Protein chain

P06873  (PRTK_PARAQ) -  Proteinase K from Parengyodontium album

Seq: 384 a.a.

Struc: 279 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class: E.C.3.4.21.64 - peptidase K.
• Reaction: Hydrolysis of keratin and of other proteins, with subtilisin-like specificity. Hydrolyzes peptides amides.

Acta Crystallogr D Biol Crystallogr 66:374-380 (2010)

PubMed id: 20382990

The magic triangle goes MAD: experimental phasing with a bromine derivative.

T.Beck, T.Gruene, G.M.Sheldrick.

ABSTRACT

Experimental phasing is an essential technique for the solution of macromolecular structures. Since many heavy-atom ion soaks suffer from nonspecific binding, a novel class of compounds has been developed that combines heavy atoms with functional groups for binding to proteins. The phasing tool 5-amino-2,4,6-tribromoisophthalic acid (B3C) contains three functional groups (two carboxylate groups and one amino group) that interact with proteins via hydrogen bonds. Three Br atoms suitable for anomalous dispersion phasing are arranged in an equilateral triangle and are thus readily identified in the heavy-atom substructure. B3C was incorporated into proteinase K and a multiwavelength anomalous dispersion (MAD) experiment at the Br K edge was successfully carried out. Radiation damage to the bromine-carbon bond was investigated. A comparison with the phasing tool I3C that contains three I atoms for single-wavelength anomalous dispersion (SAD) phasing was also carried out.