1V5Y

Binding of coumarins to NAD(P)H:FMN oxidoreductase

PDB DOI: https://doi.org/10.2210/pdb1V5Y/pdb

Classification: OXIDOREDUCTASE
Organism(s): Aliivibrio fischeri
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2003-11-26 Released: 2005-03-08
Deposition Author(s): Kobori, T., Koike, H., Sasaki, H., Zenno, S., Saigo, K., Tanokura, M.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.90 ?
R-Value Free: 0.226
R-Value Work: 0.185
R-Value Observed: 0.185

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.3 of the entry. See complete history.

Literature

Binding of coumarins to NAD(P)H:FMN oxidoreductase

Kobori, T., Koike, H., Sasaki, H., Zenno, S., Saigo, K., Tanokura, M.

To be published.

Macromolecule Content

Total Structure Weight: 50.49 kDa
Atom Count: 3,717
Modelled Residue Count: 434
Deposited Residue Count: 434
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Major NAD(P)H-flavin oxidoreductase	A, B	217	Aliivibrio fischeri	Mutation(s): 0 Gene Names: FRaseI EC: 1.6.99
UniProt
Find proteins for P46072 (Aliivibrio fischeri) Explore P46072 Go to UniProtKB: P46072
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P46072
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]
4HC Query on 4HC 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]	4-HYDROXY-2H-CHROMEN-2-ONE C₉ H₆ O₃ VXIXUWQIVKSKSA-UHFFFAOYSA-N		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: 1.90 ?
R-Value Free: 0.226
R-Value Work: 0.185
R-Value Observed: 0.185
Space Group: C 1 2 1

Unit Cell:

Length ( ? )	Angle ( ? )
a = 101.6	α = 90
b = 63.3	β = 100
c = 74.4	γ = 90

Software Package:

Software Name	Purpose
DENZO	data reduction
SCALEPACK	data scaling
DM	model building
X-PLOR	refinement
DM	phasing

Structure Validation

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Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2005-03-08

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2005-03-08
Type: Initial release
Version 1.1: 2008-04-27
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Version format compliance
Version 1.3: 2023-12-27
Changes: Data collection, Database references, Derived calculations

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1V5Y

Binding of coumarins to NAD(P)H:FMN oxidoreductase

Binding of coumarins to NAD(P)H:FMN oxidoreductase

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)