5HSG

Crystal structure of an ABC transporter Solute Binding Protein from Klebsiella pneumoniae (KPN_01730, target EFI-511059), APO open structure

PDB DOI: https://doi.org/10.2210/pdb5HSG/pdb

Classification: TRANSPORT PROTEIN
Organism(s): Klebsiella pneumoniae subsp. pneumoniae MGH 78578
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2016-01-25 Released: 2016-03-02
Deposition Author(s): Roth, Y., Vetting, M.W., Al Obaidi, N.F., Toro, R., Morisco, L.L., Benach, J., Koss, J., Wasserman, S.R., Gerlt, J.A., Almo, S.C., Enzyme Function Initiative (EFI)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.30 Å
R-Value Free: 0.174
R-Value Work: 0.150
R-Value Observed: 0.151

wwPDB Validation 3D Report Full Report

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

Literature

Crystal structure of an ABC transporter Solute Binding Protein from Klebsiella pneumoniae (KPN_01730, target EFI-511059), APO open structure

Roth, Y., Vetting, M.W., Al Obaidi, N.F., Toro, R., Morisco, L.L., Benach, J., Koss, J., Wasserman, S.R., Gerlt, J.A., Almo, S.C., Enzyme Function Initiative (EFI)

To be published.

Macromolecule Content

Total Structure Weight: 33.11 kDa
Atom Count: 2,674
Modelled Residue Count: 285
Deposited Residue Count: 310
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 ABC transporter, nucleotide binding/ATPase protein	A	310	Klebsiella pneumoniae subsp. pneumoniae MGH 78578	Mutation(s): 0 Gene Names: KPN_01730
UniProt
Find proteins for A6T990 (Klebsiella pneumoniae subsp. pneumoniae (strain ATCC 700721 / MGH 78578)) Explore A6T990 Go to UniProtKB: A6T990
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A6T990
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
MG Query on MG Download Ideal Coordinates CCD File SDF format, chain B [auth A] MOL2 format, chain B [auth A]	B [auth A]	MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N		Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]

Modified Residues 1 Unique
ID	Chains	Type	Formula	2D Diagram	Parent
MSE Query on MSE	A	L-PEPTIDE LINKING	C₅ H₁₁ N O₂ Se		MET

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.30 Å
R-Value Free: 0.174
R-Value Work: 0.150
R-Value Observed: 0.151
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 39.548	α = 90
b = 48.8	β = 90
c = 157.115	γ = 90

Software Package:

Software Name	Purpose
HKL-2000	data scaling
PHENIX	refinement
PDB_EXTRACT	data extraction
SHELX	phasing
MLPHARE	phasing
HKL-3000	data reduction

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2016-03-02

Deposition Author(s):

Al Obaidi, N.F.

Wasserman, S.R.

Enzyme Function Initiative (EFI)

Revision History (Full details and data files)

Version 1.0: 2016-03-02
Type: Initial release

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.