PDBsum entry 5rpy

Hydrolase

PDB id: 5rpy

Contents

Protein chain

279 a.a.

Ligands

SO4

Waters ×302

PDB id:

5rpy

Name:

Hydrolase

Title:

Pandda analysis group deposition -- proteinase k crystal structure apo10

Structure:

Proteinase k. Chain: a. Synonym: endopeptidase k,tritirachium alkaline proteinase. Engineered: yes

Source:

Parengyodontium album. Organism_taxid: 37998. Gene: prok. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

1.09Å R-factor: 0.175 R-free: 0.186

Authors:

G.M.A.Lima,V.Talibov,L.S.Benz,E.Jagudin,U.Mueller

Key ref:

G.M.A.Lima et al. (2021). FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 799-808. PubMed id: 34076593 DOI: 10.1107/S2059798321003818

Date:

23-Sep-20 Release date: 26-May-21

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.

DOI no: 10.1107/S2059798321003818

Acta Crystallogr D Struct Biol 77:799-808 (2021)

PubMed id: 34076593

FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.

G.M.A.Lima, E.Jagudin, V.O.Talibov, L.S.Benz, C.Marullo, T.Barthel, J.Wollenhaupt, M.S.Weiss, U.Mueller.

ABSTRACT

Crystallographic fragment screening (CFS) has become one of the major techniques for screening compounds in the early stages of drug-discovery projects. Following the advances in automation and throughput at modern macromolecular crystallography beamlines, the bottleneck for CFS has shifted from collecting data to organizing and handling the analysis of such projects. The complexity that emerges from the use of multiple methods for processing and refinement and to search for ligands requires an equally sophisticated solution to summarize the output, allowing researchers to focus on the scientific questions instead of on software technicalities. FragMAXapp is the fragment-screening project-management tool designed to handle CFS projects at MAX IV Laboratory. It benefits from the powerful computing infrastructure of large-scale facilities and, as a web application, it is accessible from everywhere.