2WI8

Crystal structure of the triscatecholate siderophore binding protein FeuA from Bacillus subtilis

PDB DOI: https://doi.org/10.2210/pdb2WI8/pdb

Classification: TRANSPORT PROTEIN
Organism(s): Bacillus subtilis
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2009-05-08 Released: 2009-09-22
Deposition Author(s): Peuckert, F., Miethke, M., Albrecht, A.G., Essen, L.-O., Marahiel, M.A.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.55 ?
R-Value Free: 0.215
R-Value Work: 0.182
R-Value Observed: 0.183

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

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

Literature

Structural Basis and Stereochemistry of Triscatecholate Siderophore Binding by Feua.

Peuckert, F., Miethke, M., Albrecht, A.G., Essen, L.-O., Marahiel, M.A.

(2009) Angew Chem Int Ed Engl 48: 7924

PubMed: 19746494 Search on PubMed
DOI: https://doi.org/10.1002/anie.200902495
Primary Citation of Related Structures:
2WHY, 2WI8

Organizational Affiliation

Fachbereich Chemie, Biochemie, Philipps-Universit?t Marburg, Hans-Meerwein-Strasse, 35032 Marburg, Germany.

Macromolecule Content

Total Structure Weight: 34.85 kDa
Atom Count: 2,489
Modelled Residue Count: 283
Deposited Residue Count: 311
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
IRON-UPTAKE SYSTEM-BINDING PROTEIN	A	311	Bacillus subtilis	Mutation(s): 0
UniProt
Find proteins for P40409 (Bacillus subtilis (strain 168)) Explore P40409 Go to UniProtKB: P40409
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P40409
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
CL Query on CL Download Ideal Coordinates CCD File SDF format, chain B [auth A] SDF format, chain C [auth A] SDF format, chain D [auth A] MOL2 format, chain B [auth A] MOL2 format, chain C [auth A] MOL2 format, chain D [auth A] mmCIF format, chain B [auth A] mmCIF format, chain C [auth A] mmCIF format, chain D [auth A]	B [auth A], C [auth A], D [auth A]	CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M		Interactions Focus chain B [auth A] Focus chain C [auth A] Focus chain D [auth A] Interactions & Density Focus chain B [auth A] Focus chain C [auth A] Focus chain D [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.55 ?
R-Value Free: 0.215
R-Value Work: 0.182
R-Value Observed: 0.183
Space Group: P 4₁ 2₁ 2

Unit Cell:

Length ( ? )	Angle ( ? )
a = 54.71	α = 90
b = 54.71	β = 90
c = 177.66	γ = 90

Software Package:

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

Structure Validation

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Entry History

Deposition Data

Released Date: 2009-09-22

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2009-09-22
Type: Initial release
Version 1.1: 2011-07-13
Changes: Advisory, Version format compliance
Version 1.2: 2011-12-07
Changes: Database references
Version 1.3: 2023-12-13
Changes: Data collection, Database references, Derived calculations, Other, Refinement description

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Help and Resources

2WI8

Crystal structure of the triscatecholate siderophore binding protein FeuA from Bacillus subtilis

Structural Basis and Stereochemistry of Triscatecholate Siderophore Binding by Feua.

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

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Experimental Data

Structure Validation

Deposition Data

Revision History (Full details and data files)