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BMRB: 19942

2MOG

Solution structure of the terminal Ig-like domain from Leptospira interrogans LigB

Authors

Ptak, C.P., Hsieh, C., Lin, Y., Maltsev, A.S., Raman, R., Sharma, Y., Oswald, R.E., Chang, Y.

Assembly

terminal Ig-like domain from Leptospira interrogans LigB

Entity

1. terminal Ig-like domain from Leptospira interrogans LigB (polymer, Thiol state: not present), 95 monomers, 9636.443 Da Detail

SAATLSSISI SPINTNINTT VSKQFFAVGT YSDGTKADLT SSVTWSSSNQ SQAKVSNASE TKGLVTGIAS GNPTIIATYG SVSGNTILTV NKTDT

Formula weight

9636.443 Da

Source organism

Leptospira interrogans

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 92.8 %, Completeness (bb): 97.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.8 % (922 of 993)	91.2 % (454 of 498)	95.9 % (374 of 390)	89.5 % (94 of 105)
Backbone	97.9 % (554 of 566)	96.4 % (188 of 195)	99.3 % (276 of 278)	96.8 % (90 of 93)
Sidechain	88.3 % (455 of 515)	87.8 % (266 of 303)	92.5 % (185 of 200)	33.3 % (4 of 12)
Aromatic	89.6 % (43 of 48)	91.7 % (22 of 24)	87.0 % (20 of 23)	100.0 % (1 of 1)
Methyl	86.3 % (107 of 124)	87.1 % (54 of 62)	85.5 % (53 of 62)

1. entity

SAATLSSISI SPINTNINTT VSKQFFAVGT YSDGTKADLT SSVTWSSSNQ SQAKVSNASE TKGLVTGIAS GNPTIIATYG SVSGNTILTV NKTDT

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 286 K, pH 7

#	Name	Isotope labeling	Concentration
1	Protein	[U-95% 13C; U-95% 15N]	0.5 mM
2	sodium chloride	natural abundance	137 mM
3	sodium phosphate	natural abundance	10 mM
4	potassium chloride	natural abundance	2.7 mM
5	potassium phosphate	natural abundance	1.8 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 286 K, pH 7

#	Name	Isotope labeling	Concentration
6	Protein	[U-95% 15N]	0.5 mM
7	sodium chloride	natural abundance	137 mM
8	sodium phosphate	natural abundance	10 mM
9	potassium chloride	natural abundance	2.7 mM
10	potassium phosphate	natural abundance	1.8 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0

Referencing offset: 0.6 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MOG, Strand ID: A Detail

Release date

2014-08-25

Citation

NMR solution structure of the terminal immunoglobulin-like domain from the leptospira host-interacting outer membrane protein, LigB
Ptak, C.P., Hsieh, C., Lin, Y., Maltsev, A.S., Raman, R., Sharma, Y., Oswald, R.E., Chang, Y.
Biochemistry (2014), 53, 5249-5260, PubMed 25068811 , DOI 10.1021/bi500669u , Abstract

Related entities 1. terminal Ig-like domain from Leptospira interrogans LigB, : 1 : 1 : 3 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC