5AA6

Homohexameric Structure of the second Vanadate-Dependent Bromoperoxidase (AnII) from Ascophyllum nodosum

PDB DOI: https://doi.org/10.2210/pdb5AA6/pdb

Classification: OXIDOREDUCTASE
Organism(s): Ascophyllum nodosum
Mutation(s): No

Deposited: 2015-07-23 Released: 2016-08-03
Deposition Author(s): Radlow, M., Jeudy, A., Dabin, J., Delage, L., Leblanc, C., Hartung, J., Czjzek, M.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.26 Å
R-Value Free: 0.236
R-Value Work: 0.170
R-Value Observed: 0.173

wwPDB Validation 3D Report Full Report

This is version 1.2 of the entry. See complete history.

Literature

Homohexameric Structure of the Second Vanadate Dependant Bromoperoxidase from Ascophyllum Nodosum

Radlow, M., Czjzek, M., Jeudy, A., Dabin, J., Delage, L., Leblanc, C., Hartung, J.

To be published.

Macromolecule Content

Total Structure Weight: 392.15 kDa
Atom Count: 29,755
Modelled Residue Count: 3,565
Deposited Residue Count: 3,582
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
VANADIUM-DEPENDENT BROMOPEROXIDASE 2	A, B, C, D, E A, B, C, D, E, F	597	Ascophyllum nodosum	Mutation(s): 0 EC: 1.11.1.18
UniProt
Find proteins for K7ZUA3 (Ascophyllum nodosum) Explore K7ZUA3 Go to UniProtKB: K7ZUA3
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	K7ZUA3
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
VO4 Query on VO4 Download Ideal Coordinates CCD File SDF format, chain G [auth A] SDF format, chain H [auth B] SDF format, chain I [auth C] SDF format, chain J [auth D] SDF format, chain K [auth E] SDF format, chain L [auth F] MOL2 format, chain G [auth A] MOL2 format, chain H [auth B] MOL2 format, chain I [auth C] MOL2 format, chain J [auth D] MOL2 format, chain K [auth E] MOL2 format, chain L [auth F]	G [auth A] H [auth B] I [auth C] J [auth D] K [auth E] G [auth A], H [auth B], I [auth C], J [auth D], K [auth E], L [auth F]	VANADATE ION O₄ V LSGOVYNHVSXFFJ-UHFFFAOYSA-N		Interactions Focus chain G [auth A] Focus chain H [auth B] Focus chain I [auth C] Focus chain J [auth D] Focus chain K [auth E] Focus chain L [auth F] Interactions & Density Focus chain G [auth A] Focus chain H [auth B] Focus chain I [auth C] Focus chain J [auth D] Focus chain K [auth E] Focus chain L [auth F]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.26 Å
R-Value Free: 0.236
R-Value Work: 0.170
R-Value Observed: 0.173
Space Group: P 1 2₁ 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 67.79	α = 90
b = 236.84	β = 93.74
c = 118	γ = 90

Software Package:

Software Name	Purpose
REFMAC	refinement
MOSFLM	data reduction
SCALA	data scaling
PHASER	phasing

Structure Validation

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Entry History

Deposition Data

Released Date: 2016-08-03

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2016-08-03
Type: Initial release
Version 1.1: 2019-05-08
Changes: Advisory, Data collection, Experimental preparation, Other
Version 1.2: 2024-01-10
Changes: Advisory, Data collection, Database references, Derived calculations, Other, Refinement description

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5AA6

Homohexameric Structure of the second Vanadate-Dependent Bromoperoxidase (AnII) from Ascophyllum nodosum

Homohexameric Structure of the Second Vanadate Dependant Bromoperoxidase from Ascophyllum Nodosum

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

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Experimental Data

Structure Validation

Deposition Data

Revision History (Full details and data files)