6TA8

Crystal structure of the epimerization domain from the third module of tyrocidine synthetase B, TycB3(E)

PDB DOI: https://doi.org/10.2210/pdb6TA8/pdb
Entry: 6TA8 supersedes: 5M6P

Classification: BIOSYNTHETIC PROTEIN
Organism(s): Brevibacillus parabrevis
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2019-10-29 Released: 2020-11-18
Deposition Author(s): Fage, C.D., Marahiel, M.A.
Funding Organization(s): German Research Foundation, LOEWE Center for Synthetic Microbiology

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.40 Å
R-Value Free: 0.276
R-Value Work: 0.245
R-Value Observed: 0.246

wwPDB Validation 3D Report Full Report

This is version 1.3 of the entry. See complete history.

Literature

Communication Breakdown: Dissecting the COM Interfaces between the Subunits of Nonribosomal Peptide Synthetases

Fage, C.D., Kosol, S., Jenner, M., Oster, C., Gallo, A., Kaniusaite, M., Steinbach, R., Staniforth, M., Stavros, V.G., Marahiel, M.A., Cryle, M.J., Lewandowski, J.R.

(2021) ACS Catal

DOI: https://doi.org/10.1021/acscatal.1c02113

Macromolecule Content

Total Structure Weight: 113.72 kDa
Atom Count: 7,424
Modelled Residue Count: 887
Deposited Residue Count: 992
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Tyrocidine synthase 2	A, B	496	Brevibacillus parabrevis	Mutation(s): 0 Gene Names: tycB EC: 5.1.1.11
UniProt
Find proteins for O30408 (Brevibacillus parabrevis) Explore O30408 Go to UniProtKB: O30408
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	O30408
Sequence Annotations Expand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.40 Å
R-Value Free: 0.276
R-Value Work: 0.245
R-Value Observed: 0.246
Space Group: H 3

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 120.661	α = 90
b = 120.661	β = 90
c = 256.002	γ = 120

Software Package:

Software Name	Purpose
PHENIX	refinement
PHENIX	phasing
XDS	data reduction
Aimless	data scaling
Coot	model building
PDB_EXTRACT	data extraction

Structure Validation

View Full Validation Report

Entry History & Funding Information

Deposition Data

Released Date: 2020-11-18

Deposition Author(s):

This entry supersedes: 5M6P

Funding Organization	Location	Grant Number
German Research Foundation	Germany	--
LOEWE Center for Synthetic Microbiology	Germany	--

Revision History (Full details and data files)

Version 1.0: 2020-11-18
Type: Initial release
Version 1.1: 2021-06-02
Changes: Advisory
Version 1.2: 2021-08-18
Changes: Database references
Version 1.3: 2024-01-24
Changes: Data collection, Refinement description

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.