BMRB Entry 17625

Name: Microvirin:mannobiose complex
Published: 2011-06-01

Click here to enlarge.

PDB ID: 2yhh
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17625
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

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

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Microvirin:mannobiose complex

Deposition date:

2011-05-04

Original release date:

2011-06-01

Authors:

Hussan, S.; Bewley, Carole; Clore, G.; Gustchina, E.; Ghirlando, R.

Citation:

Citation: Shahzad-Ul-Hussan, Syed; Gustchina, Elena; Ghirlando, Rodolfo; Clore, G. Marius; Bewley, Carole. "Solution Structure of the Monovalent Lectin Microvirin in Complex with Man{alpha}(1-2)Man Provides a Basis for Anti-HIV Activity with Low Toxicity." J. Biol. Chem. 286, 20788-20796 (2011).
PubMed: 21471192

Assembly members:

Assembly members:
microvirin, polymer, 108 residues, 12157.0095 Da.
MAB, non-polymer, 342.296 Da.

Natural source:

Natural source: Common Name: cyanobacteria Taxonomy ID: 1126 Superkingdom: Bacteria Kingdom: not available Genus/species: Microcystis aeruginosa

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: n/a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
microvirin: MPNFSHTCSSINYDPDSTIL SAECQARDGEWLPTELRLSD HIGNIDGELQFGDQNFQETC QDCRLEFGDGEQSVWLVCTC QTMDGEWKSTQILLDSQIDN NDSQLEIG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	397
15N chemical shifts	121
1H chemical shifts	322

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	microvirin	1
2	mannobiose	2

Entities:

Entity 1, microvirin 108 residues - 12157.0095 Da.

1

MET

PRO

ASN

PHE

SER

HIS

THR

CYS

SER

2

ILE

ASN

TYR

ASP

PRO

ASP

SER

THR

ILE

LEU

3

SER

ALA

GLU

CYS

GLN

ALA

ARG

ASP

GLY

GLU

4

TRP

LEU

PRO

THR

GLU

LEU

ARG

LEU

SER

ASP

5

HIS

ILE

GLY

ASN

ILE

ASP

GLY

GLU

LEU

GLN

6

PHE

GLY

ASP

GLN

ASN

PHE

GLN

GLU

THR

CYS

7

GLN

ASP

CYS

ARG

LEU

GLU

PHE

GLY

ASP

GLY

8

GLU

GLN

SER

VAL

TRP

LEU

VAL

CYS

THR

CYS

9

GLN

THR

MET

ASP

GLY

GLU

TRP

LYS

SER

THR

10

GLN

ILE

LEU

ASP

SER

GLN

ILE

ASP

ASN

11

ASN

ASP

SER

GLN

LEU

GLU

ILE

GLY

Entity 2, mannobiose - C12 H22 O11 - 342.296 Da.

1

MAB

Samples:

sample_1: microvirin, [U-13C; U-15N], 1.5 mM; mannobiose, [U-13C; U-15N], 1.5 mM; H2O 10%; D2O 90%; NaPO4 20 mM; NaCl 50 mM

sample_conditions_1: ionic strength: 20.000 mM; pH: 6.800; pressure: 1.000 atm; temperature: 300.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
HSQC	sample_1	solution	sample_conditions_1
HNCACB	sample_1	solution	sample_conditions_1
HNCO	sample_1	solution	sample_conditions_1
NOESY	sample_1	solution	sample_conditions_1
HNHA	sample_1	solution	sample_conditions_1
HNCG	sample_1	solution	sample_conditions_1
HOHAHA	sample_1	solution	sample_conditions_1

Software:

AutoDep v4.3, PDBe - collection

X-PLOR vany, Brunger - chemical shift assignment

X-PLOR NIH vany, BRUNGER - chemical shift assignment

NMR spectrometers:

Bruker Avance 500 MHz

UNP	Q2MDE2_MICAE
PDB	2Y1S 2YHH
EMBL	CAJ13948 CAO86269
REF	WP_036399836 WP_052278278
AlphaFold	Q2MDE2