5IL5

Crystal structure of the dehydratase domain of MlnD from Bacillus amyloliquefaciens

PDB DOI: https://doi.org/10.2210/pdb5IL5/pdb

Classification: LYASE
Organism(s): Bacillus velezensis FZB42
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2016-03-04 Released: 2017-03-29
Deposition Author(s): Jakob, R.P., Herbst, D.A., Maier, T.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.91 Å
R-Value Free: 0.270
R-Value Work: 0.228
R-Value Observed: 0.230

wwPDB Validation 3D Report Full Report

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

Literature

Crystal Structures of Dehydratase Domains from trans-AT Polyketide Biosynthetic Pathways

Jakob, R.P., Muller, R., Herbst, D.A., Maier, T.

To be published.

Macromolecule Content

Total Structure Weight: 69.89 kDa
Atom Count: 4,140
Modelled Residue Count: 510
Deposited Residue Count: 624
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
MlnD	A, B	312	Bacillus velezensis FZB42	Mutation(s): 0 Gene Names: mlnD, RBAM_014360
UniProt
Find proteins for A7Z473 (Bacillus velezensis (strain DSM 23117 / BGSC 10A6 / LMG 26770 / FZB42)) Explore A7Z473 Go to UniProtKB: A7Z473
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A7Z473
Sequence Annotations Expand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.91 Å
R-Value Free: 0.270
R-Value Work: 0.228
R-Value Observed: 0.230
Space Group: C 1 2 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 76.05	α = 90
b = 37.95	β = 92.28
c = 166.46	γ = 90

Software Package:

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

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2017-03-29

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2017-03-29
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.