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BMRB: 18572

2LVJ

solution structure of hemi-Mg-bound Phl p 7

Authors

Henzl, M.T., Tanner, J.J.

Assembly

hemi-Mg-bound Phl p 7

Entity

1. Phl p 7 (polymer), 77 monomers, 8545.428 Da Detail

ADDMERIFKR FDTNGDGKIS LSELTDALRT LGSTSADEVQ RMMAEIDTDG DGFIDFNEFI SFCNANPGLM KDVAKVF

2. MAGNESIUM ION (non-polymer), 24.305 Da

Total weight

8569.732 Da

Max. entity weight

8545.428 Da

Source organism

Phleum pratense

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.7 %, Completeness: 92.5 %, Completeness (bb): 97.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.5 % (798 of 863)	94.8 % (422 of 445)	88.1 % (297 of 337)	97.5 % (79 of 81)
Backbone	97.0 % (446 of 460)	95.6 % (152 of 159)	97.8 % (220 of 225)	97.4 % (74 of 76)
Sidechain	89.0 % (422 of 474)	94.4 % (270 of 286)	80.3 % (147 of 183)	100.0 % (5 of 5)
Aromatic	40.0 % (28 of 70)	80.0 % (28 of 35)	0.0 % (0 of 35)
Methyl	97.3 % (72 of 74)	97.3 % (36 of 37)	97.3 % (36 of 37)

1. Phl p 7

ADDMERIFKR FDTNGDGKIS LSELTDALRT LGSTSADEVQ RMMAEIDTDG DGFIDFNEFI SFCNANPGLM KDVAKVF

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Phl p 7	[U-98% 13C; U-98% 15N]	3 (±0.3) mM
2	sodium chloride	natural abundance	150 (±1.5) mM
3	MES	natural abundance	10 (±0.1) mM
4	D2O	[U-99% 2H]	10 (±0.5) %
5	H2O	natural abuncance	90 (±0.5) %
6	sodium azide	natural abundance	0.1 (±0.01) %
7	magnesium chloride	natural abundance	5 (±0.1) mM
8	EGTA	natural abundance	1 (±0.02) mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.13 ppm, Outliers: 6 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.13 ppm, Outliers: 6 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.09 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.52 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2012-09-30

Citation

Solution structures of polcalcin Phl p 7 in three ligation states: Apo-, hemi-Mg2+-bound, and fully Ca2+-bound
Henzl, M.T., Sirianni, A.G., Wycoff, W.G., Tan, A., Tanner, J.J.
Proteins (2013), 81, 300-315, PubMed 23011803 , DOI 10.1002/prot.24186 , Abstract

Related entities 1. Phl p 7, : 1 : 5 : 1 : 207 entities Detail

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC