3C3J

Crystal structure of tagatose-6-phosphate ketose/aldose isomerase from Escherichia coli

PDB DOI: https://doi.org/10.2210/pdb3C3J/pdb

Classification: ISOMERASE
Organism(s): Escherichia coli K-12
Expression System: Escherichia coli BL21
Mutation(s): No

Deposited: 2008-01-28 Released: 2008-02-19
Deposition Author(s): Zhang, R., Skarina, T., Egorova, O., Savchenko, A., Edwards, A.M., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.80 Å
R-Value Free: 0.185
R-Value Work: 0.136
R-Value Observed: 0.138

wwPDB Validation 3D Report Full Report

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

Literature

The crystal structure of the tagatose-6-phosphate ketose/aldose isomerase from Escherichia coli.

Zhang, R., Skarina, T., Egorova, O., Savchenko, A., Edwards, A.M., Joachimiak, A.

To be published.

Macromolecule Content

Total Structure Weight: 253.72 kDa
Atom Count: 19,285
Modelled Residue Count: 2,213
Deposited Residue Count: 2,304
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 tagatose-6-phosphate ketose/aldose isomerase	A, B, C, D, E A, B, C, D, E, F	384	Escherichia coli K-12	Mutation(s): 0 Gene Names: agaS, yraB, b3136, JW3105
UniProt
Find proteins for P42907 (Escherichia coli (strain K12)) Explore P42907 Go to UniProtKB: P42907
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P42907
Sequence Annotations Expand
Reference Sequence

Small Molecules

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

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.80 Å
R-Value Free: 0.185
R-Value Work: 0.136
R-Value Observed: 0.138
Space Group: P 1 2₁ 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 100.941	α = 90
b = 81.211	β = 90.21
c = 138.325	γ = 90

Software Package:

Software Name	Purpose
REFMAC	refinement
SBC-Collect	data collection
HKL-2000	data reduction
HKL-2000	data scaling
HKL-3000	phasing

Structure Validation

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Entry History

Deposition Data

Released Date: 2008-02-19

Deposition Author(s):

Midwest Center for Structural Genomics (MCSG)

Revision History (Full details and data files)

Version 1.0: 2008-02-19
Type: Initial release
Version 1.1: 2011-07-13
Changes: Source and taxonomy, Version format compliance

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.