4Z37

Structure of the ketosynthase of module 2 of C0ZGQ5 (trans-AT PKS) from Brevibacillus brevis

PDB DOI: https://doi.org/10.2210/pdb4Z37/pdb

Classification: TRANSFERASE
Organism(s): Brevibacillus brevis NBRC 100599
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2015-03-31 Released: 2016-04-13
Deposition Author(s): Martin, S.F., Jakob, R.P., Herbst, D.A., Maier, T.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.00 Å
R-Value Free: 0.208
R-Value Work: 0.173
R-Value Observed: 0.175

wwPDB Validation 3D Report Full Report

This is version 1.1 of the entry. See complete history.

Literature

The structural organization of trans-AT polyketide synthases: ketoacyl synthase and trans-acting enoyl reductase

Martin, S.F., Jakob, R.P., Herbst, D.A., Maier, T.

To be published.

Macromolecule Content

Total Structure Weight: 72.25 kDa
Atom Count: 5,260
Modelled Residue Count: 607
Deposited Residue Count: 652
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Putative mixed polyketide synthase/non-ribosomal peptide synthetase	A	652	Brevibacillus brevis NBRC 100599	Mutation(s): 0 Gene Names: BBR47_39870
UniProt
Find proteins for C0ZGQ5 (Brevibacillus brevis (strain 47 / JCM 6285 / NBRC 100599)) Explore C0ZGQ5 Go to UniProtKB: C0ZGQ5
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	C0ZGQ5
Sequence Annotations Expand
Reference Sequence

Small Molecules

Modified Residues 1 Unique
ID	Chains	Type	Formula	2D Diagram	Parent
CSD Query on CSD	A	L-PEPTIDE LINKING	C₃ H₇ N O₄ S		CYS

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.00 Å
R-Value Free: 0.208
R-Value Work: 0.173
R-Value Observed: 0.175
Space Group: C 1 2 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 113.292	α = 90
b = 85.8	β = 121.51
c = 89.254	γ = 90

Software Package:

Software Name	Purpose
PHENIX	refinement
XDS	data reduction
XSCALE	data scaling
PHASER	phasing

Structure Validation

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Entry History

Deposition Data

Released Date: 2016-04-13

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2016-04-13
Type: Initial release
Version 1.1: 2024-01-10
Changes: Data collection, Database references, 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.