3F49

Anion-triggered Engineered Subtilisin SUBT_BACAM

PDB DOI: https://doi.org/10.2210/pdb3F49/pdb

Classification: HYDROLASE
Organism(s): Bacillus amyloliquefaciens
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2008-10-31 Released: 2008-12-16
Deposition Author(s): Gallagher, D.T., Bryan, P.N.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.70 Å
R-Value Free: 0.199
R-Value Work: 0.171
R-Value Observed: 0.172

wwPDB Validation 3D Report Full Report

This is version 1.5 of the entry. See complete history.

Literature

Anion-triggered Engineered Subtilisin SUBT_BACAM

Bryan, P.N., Gallagher, D.T., Ruan, B.

To be published.

Macromolecule Content

Total Structure Weight: 26.46 kDa
Atom Count: 2,065
Modelled Residue Count: 266
Deposited Residue Count: 266
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Subtilisin BPN	A [auth S]	266	Bacillus amyloliquefaciens	Mutation(s): 21 Gene Names: apr, SUBT_BACAM EC: 3.4.21.62
UniProt
Find proteins for P00782 (Bacillus amyloliquefaciens) Explore P00782 Go to UniProtKB: P00782
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P00782
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
NA Query on NA Download Ideal Coordinates CCD File SDF format, chain B [auth S] MOL2 format, chain B [auth S]	B [auth S]	SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N		Interactions Focus chain B [auth S] Interactions & Density Focus chain B [auth S]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.70 Å
R-Value Free: 0.199
R-Value Work: 0.171
R-Value Observed: 0.172
Space Group: P 4₁ 2₁ 2

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 58.456	α = 90
b = 58.456	β = 90
c = 126.278	γ = 90

Software Package:

Software Name	Purpose
d*TREK	data scaling
REFMAC	refinement
PDB_EXTRACT	data extraction
CrystalClear	data collection
d*TREK	data reduction
XFIT	data reduction

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2008-12-16

Deposition Author(s):

Gallagher, D.T.

Revision History (Full details and data files)

Version 1.0: 2008-12-16
Type: Initial release
Version 1.1: 2011-07-13
Changes: Version format compliance
Version 1.2: 2017-03-22
Changes: Source and taxonomy
Version 1.3: 2018-04-04
Changes: Data collection
Version 1.4: 2021-10-20
Changes: Database references, Derived calculations
Version 1.5: 2023-12-27
Changes: Data collection

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.