1USC

PUTATIVE STYRENE MONOOXYGENASE SMALL COMPONENT

PDB DOI: https://doi.org/10.2210/pdb1USC/pdb

Classification: OXYGENASE
Organism(s): Thermus thermophilus HB8
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2003-11-21 Released: 2003-11-27
Deposition Author(s): Tahirov, T.H., Inagaki, E., Takahashi, H.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.24 Å
R-Value Free: 0.222
R-Value Work: 0.203
R-Value Observed: 0.203

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Crystal Structure of Putative Styrene Monooxygenase Small Component from Thermus Thermophilus

Inagaki, E., Takahashi, H., Tahirov, T.H.

To be published.

Macromolecule Content

Total Structure Weight: 40.51 kDa
Atom Count: 3,415
Modelled Residue Count: 356
Deposited Residue Count: 356
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 STYRENE MONOOXYGENASE SMALL COMPONENT	A, B	178	Thermus thermophilus HB8	Mutation(s): 0
UniProt
Find proteins for P83818 (Thermus thermophilus) Explore P83818 Go to UniProtKB: P83818
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P83818
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
FMN Query on FMN Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain E [auth B] MOL2 format, chain C [auth A] MOL2 format, chain E [auth B] mmCIF format, chain C [auth A] mmCIF format, chain E [auth B]	C [auth A], E [auth B]	FLAVIN MONONUCLEOTIDE C₁₇ H₂₁ N₄ O₉ P FVTCRASFADXXNN-SCRDCRAPSA-N		Interactions Focus chain C [auth A] Focus chain E [auth B] Interactions & Density Focus chain C [auth A] Focus chain E [auth B]
ACT Query on ACT Download Ideal Coordinates CCD File SDF format, chain D [auth A] SDF format, chain F [auth B] MOL2 format, chain D [auth A] MOL2 format, chain F [auth B] mmCIF format, chain D [auth A] mmCIF format, chain F [auth B]	D [auth A], F [auth B]	ACETATE ION C₂ H₃ O₂ QTBSBXVTEAMEQO-UHFFFAOYSA-M		Interactions Focus chain D [auth A] Focus chain F [auth B] Interactions & Density Focus chain D [auth A] Focus chain F [auth B]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.24 Å
R-Value Free: 0.222
R-Value Work: 0.203
R-Value Observed: 0.203
Space Group: P 2₁ 2₁ 2

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 70.321	α = 90
b = 77.571	β = 90
c = 63.86	γ = 90

Software Package:

Software Name	Purpose
HKL-2000	data reduction
HKL-2000	data scaling
MLPHARE	phasing
DM	phasing
CNS	refinement

Structure Validation

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Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2003-11-27

Deposition Author(s):

Tahirov, T.H.

Inagaki, E.

Takahashi, H.

Revision History (Full details and data files)

Version 1.0: 2003-11-27
Type: Initial release
Version 1.1: 2011-05-08
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Version format compliance
Version 1.3: 2019-03-06
Changes: Data collection, Experimental preparation, Other
Version 1.4: 2019-05-22
Changes: Data collection, Experimental preparation
Version 1.5: 2024-05-08
Changes: Data collection, Database references, Other

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1USC

PUTATIVE STYRENE MONOOXYGENASE SMALL COMPONENT

Crystal Structure of Putative Styrene Monooxygenase Small Component from Thermus Thermophilus

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

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Experimental Data

Structure Validation

Ligand Structure Quality Assessment

Deposition Data

Revision History (Full details and data files)