4S1P

Shel_16390 protein, a putative SGNH hydrolase from Slackia heliotrinireducens

PDB DOI: https://doi.org/10.2210/pdb4S1P/pdb

Classification: HYDROLASE
Organism(s): Slackia heliotrinireducens DSM 20476
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2015-01-14 Released: 2015-01-28
Deposition Author(s): Osipiuk, J., Cuff, M.E., Wu, R., Endres, M., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.45 Å
R-Value Free: 0.156
R-Value Work: 0.118
R-Value Observed: 0.119

wwPDB Validation 3D Report Full Report

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

Literature

Shel_16390 protein, a putative SGNH hydrolase from Slackia heliotrinireducens

Osipiuk, J., Cuff, M.E., Wu, R., Endres, M., Joachimiak, A.

To be published.

Macromolecule Content

Total Structure Weight: 20.42 kDa
Atom Count: 1,646
Modelled Residue Count: 184
Deposited Residue Count: 191
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Uncharacterized protein	A	191	Slackia heliotrinireducens DSM 20476	Mutation(s): 0 Gene Names: Shel_16390
UniProt
Find proteins for C7N6X3 (Slackia heliotrinireducens (strain ATCC 29202 / DSM 20476 / NCTC 11029 / RHS 1)) Explore C7N6X3 Go to UniProtKB: C7N6X3
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	C7N6X3
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
UNL Query on UNL Download Ideal Coordinates CCD File	B [auth A]	Unknown ligand		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: 1.45 Å
R-Value Free: 0.156
R-Value Work: 0.118
R-Value Observed: 0.119
Space Group: P 2₁ 2₁ 2₁
Diffraction Data: https://doi.org/10.18430/M34S1P

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 40.591	α = 90
b = 67.023	β = 90
c = 71.544	γ = 90

Software Package:

Software Name	Purpose
DENZO	data reduction
SCALEPACK	data scaling
REFMAC	refinement
PDB_EXTRACT	data extraction
SBC-Collect	data collection
HKL-3000	data reduction
HKL-3000	data scaling
SHELXCD	phasing
SHELXD	phasing
MLPHARE	phasing
DM	phasing
SOLVE	phasing
RESOLVE	phasing
HKL-3000	phasing

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2015-01-28

Deposition Author(s):

Midwest Center for Structural Genomics (MCSG)

Revision History (Full details and data files)

Version 1.0: 2015-01-28
Type: Initial release
Version 1.1: 2017-11-22
Changes: 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.