9QS7 | pdb_00009qs7

AcuB,Acetoin utilization protein

PDB DOI: https://doi.org/10.2210/pdb9QS7/pdb

Classification: BIOSYNTHETIC PROTEIN
Organism(s): Bacillus subtilis subsp. subtilis str. 168
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2025-04-04 Released: 2026-02-18
Deposition Author(s): Zheng, L.J., Bange, G.
Funding Organization(s): Max Planck Society

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.41 Å
R-Value Free:
0.283 (Depositor), 0.283 (DCC)
R-Value Work:
0.238 (Depositor), 0.241 (DCC)
R-Value Observed:
0.241 (Depositor)

Starting Model: in silico
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.0 of the entry. See complete history.

Literature

Structure of AcuB from Bacillus subtilis

Zheng, L.J., Bange, G.

To be published.

Macromolecule Content

Total Structure Weight: 50.56 kDa
Atom Count: 3,304
Modeled Residue Count: 403
Deposited Residue Count: 430
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Acetoin utilization protein AcuB	A, B	215	Bacillus subtilis subsp. subtilis str. 168	Mutation(s): 0 Gene Names: acuB, BSU29700
UniProt
Find proteins for P39066 (Bacillus subtilis (strain 168)) Explore P39066 Go to UniProtKB: P39066
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P39066
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
B4P (Subject of Investigation/LOI) Query on B4P Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain D [auth B] MOL2 format, chain C [auth A] MOL2 format, chain D [auth B] mmCIF format, chain C [auth A] mmCIF format, chain D [auth B]	C [auth A], D [auth B]	BIS(ADENOSINE)-5'-TETRAPHOSPHATE C₂₀ H₂₈ N₁₀ O₁₉ P₄ YOAHKNVSNCMZGQ-XPWFQUROSA-N		Interactions Focus chain C [auth A] Focus chain D [auth B] Interactions & Density Focus chain C [auth A] Focus chain D [auth B]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.41 Å
R-Value Free: 0.283 (Depositor), 0.283 (DCC)
R-Value Work: 0.238 (Depositor), 0.241 (DCC)
R-Value Observed: 0.241 (Depositor)

Space Group: P 6₅ 2 2

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 81.546	α = 90
b = 81.546	β = 90
c = 338.549	γ = 120

Software Package:

Software Name	Purpose
PHENIX	refinement
PHENIX	phasing
autoPROC	data processing
XDS	data scaling
autoPROC	data reduction

Structure Validation

View Full Validation Report

Ligand Structure Quality Assessment

Entry History & Funding Information

Deposition Data

Released Date: 2026-02-18

Deposition Author(s):

Funding Organization	Location	Grant Number
Max Planck Society	Germany	--

Revision History (Full details and data files)

Version 1.0: 2026-02-18
Type: Initial release

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), 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 R01GM157729.