BMRB Entry 25324

Name: NMR solution structure of ligand-free OAA
Published: 2015-04-20

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PDB ID: 2mwh
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25324
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR solution structure of ligand-free OAA

Deposition date:

2014-11-10

Original release date:

2015-04-20

Authors:

Lee, Donghan; Carneiro, Marta; Koharudin, Leonardus; Griesinger, Christian; Gronenborn, Angela; Ban, David; Sabo, T. Michael; Trigo-Mourino, Pablo; Mazur, Adam

Citation:

Citation: Carneiro, Marta; Koharudin, Leonardus; Ban, David; Sabo, T. Michael; Trigo-Mourino, Pablo; Mazur, Adam; Griesinger, Christian; Gronenborn, Angela; Lee, Donghan. "Sampling of glycan-bound conformers by the anti-HIV lectin Oscillatoria agardhii agglutinin in the absence of sugar" .

Assembly members:

Assembly members:
entity, polymer, 132 residues, 27843.732 Da.

Natural source:

Natural source: Common Name: cyanobacteria Taxonomy ID: 1160 Superkingdom: Bacteria Kingdom: not available Genus/species: Planktothrix agardhii

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: PET26B

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: ALYNVENQWGGSSAPWNEGG QWEIGSRSDQNVVAINVESG DDGQTLNGTMTYAGEGPIGF RATLLGNNSYEVENQWGGDS APWHSGGNWILGSRENQNVV AINVESGDDGQTLNGTMTYA GEGPIGFKGTLT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	511
15N chemical shifts	157
1H chemical shifts	839

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 132 residues - 27843.732 Da.

1

ALA

LEU

TYR

ASN

VAL

GLU

ASN

GLN

TRP

GLY

2

GLY

SER

ALA

PRO

TRP

ASN

GLU

GLY

3

GLN

TRP

GLU

ILE

GLY

SER

ARG

SER

ASP

GLN

4

ASN

VAL

ALA

ILE

ASN

VAL

GLU

SER

GLY

5

ASP

GLY

GLN

THR

LEU

ASN

GLY

THR

MET

6

THR

TYR

ALA

GLY

GLU

GLY

PRO

ILE

GLY

PHE

7

ARG

ALA

THR

LEU

GLY

ASN

SER

TYR

8

GLU

VAL

GLU

ASN

GLN

TRP

GLY

ASP

SER

9

ALA

PRO

TRP

HIS

SER

GLY

ASN

TRP

ILE

10

LEU

GLY

SER

ARG

GLU

ASN

GLN

ASN

VAL

11

ALA

ILE

ASN

VAL

GLU

SER

GLY

ASP

GLY

12

GLN

THR

LEU

ASN

GLY

THR

MET

THR

TYR

ALA

13

GLY

GLU

GLY

PRO

ILE

GLY

PHE

LYS

GLY

THR

14

LEU

THR

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_3	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_3	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_2	isotropic	sample_conditions_1
2D 1H-15N IPAP-HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N IPAP-HSQC	sample_1	anisotropic	sample_conditions_1

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

BMRB Entry 25324

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers: