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BMRB: 16653

2L97

1H, 13C and 15N resonance assignment of the PDZ domain of HtrA from Streptococcus pneumonia

Authors

Fan, K., Shang, Q., Zhang, J., Tu, X.

Assembly

HtrA PDZ

Entity

1. HtrA PDZ (polymer, Thiol state: not present), 134 monomers, 14868.57 × 2 Da Detail

MEGLGFAIPA NDAINIIEQL EKNGKVTRPA LGIQMVNLSN VSTSDIRRLN IPSNVTSGVI VRSVQSNMPA NGHLEKYDVI TKVDDKEIAS STDLQSALYN HSIGDTIKIT YYRNGKEETT SIKLNKLEHH HHHH

Total weight

29737.14 Da

Max. entity weight

14868.57 Da

Source organism

Streptococcus pneumoniae

Exptl. method

solution NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.0 %, Completeness: 76.7 %, Completeness (bb): 80.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	76.7 % (1177 of 1534)	79.9 % (635 of 795)	71.2 % (422 of 593)	82.2 % (120 of 146)
Backbone	80.0 % (637 of 796)	88.6 % (241 of 272)	70.1 % (276 of 394)	92.3 % (120 of 130)
Sidechain	75.9 % (656 of 864)	75.3 % (394 of 523)	80.6 % (262 of 325)	0.0 % (0 of 16)
Aromatic	0.0 % (0 of 74)	0.0 % (0 of 37)	0.0 % (0 of 37)
Methyl	96.3 % (158 of 164)	97.6 % (80 of 82)	95.1 % (78 of 82)

1. HtrA-PDZ

MEGLGFAIPA NDAINIIEQL EKNGKVTRPA LGIQMVNLSN VSTSDIRRLN IPSNVTSGVI VRSVQSNMPA NGHLEKYDVI TKVDDKEIAS STDLQSALYN HSIGDTIKIT YYRNGKEETT SIKLNKLEHH HHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	HtrA-PDZ	[U-99% 13C; U-99% 15N]	0.6 mM
2	sodium chloride	natural abundance	100 mM
3	sodium phosphate	natural abundance	25 mM
4	DTT	natural abundance	2 mM
5	EDTA	natural abundance	1.5 mM
6	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.808 ppm	internal	indirect	0.2514495
¹H	water	protons	4.808 ppm	internal	direct	1.0
¹⁵N	water	protons	4.808 ppm	internal	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.808 ppm	internal	indirect	0.2514495
¹H	water	protons	4.808 ppm	internal	direct	1.0
¹⁵N	water	protons	4.808 ppm	internal	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.808 ppm	internal	indirect	0.2514495
¹H	water	protons	4.808 ppm	internal	direct	1.0
¹⁵N	water	protons	4.808 ppm	internal	indirect	0.1013291

Referencing offset: -0.01 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L97, Strand ID: A Detail

Release date

2010-05-04

Citation

1H, 13C and 15N resonance assignment of the PDZ domain of HtrA from Streptococcus pneumoniae
Fan, K., Zhang, J., Shang, Q., Tu, X.
Biomol. NMR Assign. (2010), 4, 79-82, PubMed 20437142 , DOI 10.1007/s12104-010-9211-3 , Abstract

Related entities 1. HtrA PDZ, : 1 : 139 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC