5LWX

Crystal structure of the H253D mutant of McoG from Aspergillus niger

PDB DOI: https://doi.org/10.2210/pdb5LWX/pdb

Classification: OXIDOREDUCTASE
Organism(s): Aspergillus niger
Expression System: Aspergillus niger
Mutation(s): Yes

Deposited: 2016-09-19 Released: 2017-05-03
Deposition Author(s): Ferraroni, M., Briganti, F., Tamayo-Ramos, J.A., van Berkel, W.J.H., Westphal, A.H.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.49 Å
R-Value Free: 0.196
R-Value Work: 0.172
R-Value Observed: 0.173

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 2.1 of the entry. See complete history.

Literature

Structure and function of Aspergillus niger laccase McoG

Ferraroni, M., Westphal, A.H., Borsari, M., Tamayo-Ramos, J.A., Briganti, F., de Graaff, L.H., van Berkel, W.J.H.

(2017) Biocatalysis

DOI: https://doi.org/10.1515/boca-2017-0001

Macromolecule Content

Total Structure Weight: 67.75 kDa
Atom Count: 5,174
Modelled Residue Count: 554
Deposited Residue Count: 577
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Multicopper oxidase	A	577	Aspergillus niger	Mutation(s): 1 Gene Names: An08g08450 EC: 1.10.3.2
UniProt
Find proteins for A2QS62 (Aspergillus niger (strain ATCC MYA-4892 / CBS 513.88 / FGSC A1513)) Explore A2QS62 Go to UniProtKB: A2QS62
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A2QS62
Sequence Annotations Expand
Reference Sequence

Oligosaccharides

Help

Entity ID: 2
Molecule	Chains	Length	2D Diagram	Glycosylation	3D Interactions
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	B, C	2		N-Glycosylation	Interactions Focus chain B Focus chain C Interactions & Density Focus chain B Focus chain C
Glycosylation Resources
GlyTouCan: G42666HT GlyCosmos: G42666HT GlyGen: G42666HT

Small Molecules

Ligands 5 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
NAG Query on NAG Download Ideal Coordinates CCD File SDF format, chain H [auth A] SDF format, chain J [auth A] SDF format, chain K [auth A] SDF format, chain M [auth A] SDF format, chain N [auth A] MOL2 format, chain H [auth A] MOL2 format, chain J [auth A] MOL2 format, chain K [auth A] MOL2 format, chain M [auth A] MOL2 format, chain N [auth A]	H [auth A], J [auth A], K [auth A], M [auth A], N [auth A]	2-acetamido-2-deoxy-beta-D-glucopyranose C₈ H₁₅ N O₆ OVRNDRQMDRJTHS-FMDGEEDCSA-N		Interactions Focus chain H [auth A] Focus chain J [auth A] Focus chain K [auth A] Focus chain M [auth A] Focus chain N [auth A] Interactions & Density Focus chain H [auth A] Focus chain J [auth A] Focus chain K [auth A] Focus chain M [auth A] Focus chain N [auth A]
BMA Query on BMA Download Ideal Coordinates CCD File SDF format, chain I [auth A] SDF format, chain O [auth A] MOL2 format, chain I [auth A] MOL2 format, chain O [auth A]	I [auth A], O [auth A]	beta-D-mannopyranose C₆ H₁₂ O₆ WQZGKKKJIJFFOK-RWOPYEJCSA-N		Interactions Focus chain I [auth A] Focus chain O [auth A] Interactions & Density Focus chain I [auth A] Focus chain O [auth A]
MAN Query on MAN Download Ideal Coordinates CCD File SDF format, chain L [auth A] SDF format, chain P [auth A] MOL2 format, chain L [auth A] MOL2 format, chain P [auth A]	L [auth A], P [auth A]	alpha-D-mannopyranose C₆ H₁₂ O₆ WQZGKKKJIJFFOK-PQMKYFCFSA-N		Interactions Focus chain L [auth A] Focus chain P [auth A] Interactions & Density Focus chain L [auth A] Focus chain P [auth A]
CU Query on CU Download Ideal Coordinates CCD File SDF format, chain D [auth A] SDF format, chain E [auth A] SDF format, chain F [auth A] SDF format, chain G [auth A] MOL2 format, chain D [auth A] MOL2 format, chain E [auth A] MOL2 format, chain F [auth A] MOL2 format, chain G [auth A]	D [auth A], E [auth A], F [auth A], G [auth A]	COPPER (II) ION Cu JPVYNHNXODAKFH-UHFFFAOYSA-N		Interactions Focus chain D [auth A] Focus chain E [auth A] Focus chain F [auth A] Focus chain G [auth A] Interactions & Density Focus chain D [auth A] Focus chain E [auth A] Focus chain F [auth A] Focus chain G [auth A]
PER Query on PER Download Ideal Coordinates CCD File SDF format, chain Q [auth A] MOL2 format, chain Q [auth A]	Q [auth A]	PEROXIDE ION O₂ ANAIPYUSIMHBEL-UHFFFAOYSA-N		Interactions Focus chain Q [auth A] Interactions & Density Focus chain Q [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.49 Å
R-Value Free: 0.196
R-Value Work: 0.172
R-Value Observed: 0.173
Space Group: C 1 2 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 200.273	α = 90
b = 60.498	β = 94.96
c = 53.744	γ = 90

Software Package:

Software Name	Purpose
REFMAC	refinement
XSCALE	data scaling
PDB_EXTRACT	data extraction
XDS	data reduction
REFMAC	phasing

Structure Validation

View Full Validation Report

Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2017-05-03

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2017-05-03
Type: Initial release
Version 1.1: 2017-05-17
Changes: Database references
Version 1.2: 2017-07-19
Changes: Source and taxonomy
Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Structure summary
Version 2.1: 2024-01-17
Changes: Data collection, Database references, Refinement description, Structure summary

Prepare Data

Validate Data

Deposit Data

Help and Resources

5LWX

Crystal structure of the H253D mutant of McoG from Aspergillus niger

Structure and function of Aspergillus niger laccase McoG

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

Expand

Entity ID: 2

Glycosylation Resources

Experimental Data

Structure Validation

Ligand Structure Quality Assessment

Deposition Data

Revision History (Full details and data files)