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BMRB: 17625

2YHH

Microvirin:mannobiose complex

Authors

Hussan, S., Bewley, C.A., Clore, G.M., Gustchina, E., Ghirlando, R.

Assembly

Microvirin:mannobiose complex

Entity

1. microvirin (polymer, Thiol state: all disulfide bound), 108 monomers, 12180.11 Da Detail

MPNFSHTCSS INYDPDSTIL SAECQARDGE WLPTELRLSD HIGNIDGELQ FGDQNFQETC QDCRLEFGDG EQSVWLVCTC QTMDGEWKST QILLDSQIDN NDSQLEIG

2. MAB (non-polymer), 342.296 Da

Total weight

12522.406 Da

Max. entity weight

12180.11 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS8:SG	1:CYS24:SG
2	disulfide	sing	1:CYS60:SG	1:CYS80:SG
3	disulfide	sing	1:CYS63:SG	1:CYS78:SG

Source organism

Microcystis aeruginosa

Exptl. method

solution NMR

Refine. method

TORSION ANGLE, SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 65.5 %, Completeness (bb): 95.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	65.5 % (793 of 1210)	44.8 % (281 of 627)	85.4 % (392 of 459)	96.8 % (120 of 124)
Backbone	95.2 % (611 of 642)	89.1 % (197 of 221)	98.4 % (311 of 316)	98.1 % (103 of 105)
Sidechain	42.2 % (282 of 668)	20.7 % (84 of 406)	74.5 % (181 of 243)	89.5 % (17 of 19)
Aromatic	33.7 % (31 of 92)	43.5 % (20 of 46)	18.6 % (8 of 43)	100.0 % (3 of 3)
Methyl	48.9 % (46 of 94)	48.9 % (23 of 47)	48.9 % (23 of 47)

1. microvirin

MPNFSHTCSS INYDPDSTIL SAECQARDGE WLPTELRLSD HIGNIDGELQ FGDQNFQETC QDCRLEFGDG EQSVWLVCTC QTMDGEWKST QILLDSQIDN NDSQLEIG

Show sample condition

Sample

Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 300.000 K, pH 6.800, Details microvirin 1.5 mM, mannobiose 1.5 mM

#	Name	Isotope labeling	Concentration
1	microvirin	[U-13C; U-15N]	1.5 mM
2	mannobiose	[U-13C; U-15N]	1.5 mM
3	H2O	natural abundance	10 %
4	D2O	natural abundance	90 %
5	NaPO4	natural abundance	20 mM
6	NaCl	natural abundance	50 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	HDO	HDO	4.7 ppm	internal	direct	1.0

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	HDO	HDO	4.7 ppm	internal	direct	1.0

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	HDO	HDO	4.7 ppm	internal	direct	1.0

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	HDO	HDO	4.7 ppm	internal	direct	1.0

Referencing offset: 0.63 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 2 models in PDB: 2YHH, Strand ID: A Detail

Release date

2011-05-31

Citation

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
Shahzad-Ul-Hussan, S., Gustchina, E., Ghirlando, R., Clore, G., Bewley, C.A.
J. Biol. Chem. (2011), 286, 20788-20796, PubMed 21471192 , DOI 10.1074/jbc.M111.232678 , Abstract

Related entities 1. microvirin, : 1 : 1 : 41 entities Detail

Experiments performed 7 experiments Detail

1 HSQC