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BMRB: 16316

2KJ9

NMR structure of IntB phage-integrase-like protein fragment 90-199 from Erwinia carotova subsp. atroseptica: Northeast Structural Genomics Consortium target EwR217E

Authors

Cort, J.R., Ramelot, T.A., Wang, D., Ciccosanti, C., Janjua, H., Nair, R., Rost, B., Swapna, G., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A.

Assembly

IntB phage-integrase-like protein

Entity

1. IntB phage-integrase-like protein (polymer, Thiol state: not present), 118 monomers, 13933.79 Da Detail

KSVQEKRNNT RAFKTVAKSW FATKTTWSED YQRSVWTRLE TYLFPDIGNK DIAELDTGDL LVPIKKIEKL GYLEIAMRVK QYATAIMRYA VQQKMIRFNP AYDLEGAVQK LEHHHHHH

Formula weight

13933.79 Da

Source organism

Pectobacterium carotovorum

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.3 %, Completeness: 85.6 %, Completeness (bb): 92.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.6 % (1246 of 1456)	81.4 % (619 of 760)	88.9 % (505 of 568)	95.3 % (122 of 128)
Backbone	92.6 % (650 of 702)	87.3 % (207 of 237)	95.1 % (333 of 350)	95.7 % (110 of 115)
Sidechain	81.2 % (705 of 868)	78.6 % (411 of 523)	84.9 % (282 of 332)	92.3 % (12 of 13)
Aromatic	59.5 % (88 of 148)	59.5 % (44 of 74)	57.7 % (41 of 71)	100.0 % (3 of 3)
Methyl	100.0 % (130 of 130)	100.0 % (65 of 65)	100.0 % (65 of 65)

1. fragment 90-199

KSVQEKRNNT RAFKTVAKSW FATKTTWSED YQRSVWTRLE TYLFPDIGNK DIAELDTGDL LVPIKKIEKL GYLEIAMRVK QYATAIMRYA VQQKMIRFNP AYDLEGAVQK LEHHHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	entity	[U-99% 13C; U-99% 15N]	1 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	calcium chloride	natural abundance	5 mM
5	sodium azide	natural abundance	0.02 w/v
6	H2O	natural abundance	95 %
7	D2O	[U-99% 2H]	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details protein expressed in cells grown on 5% U-13C glucose, 95% unlabeled (natural abundance 13C) glucose

#	Name	Isotope labeling	Concentration
8	entity	[5% biosynthetically directed 13C; U-99% 15N]	0.7 mM
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	200 mM
11	calcium chloride	natural abundance	5 mM
12	sodium azide	natural abundance	0.02 w/v
13	H2O	natural abundance	95 %
14	D2O	[U-99% 2H]	5 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
15	entity	[U-99% 13C; U-99% 15N]	0.7 mM
16	MES	natural abundance	20 mM
17	sodium chloride	natural abundance	200 mM
18	calcium chloride	natural abundance	5 mM
19	sodium azide	natural abundance	0.02 w/v
20	D2O	[U-99% 2H]	100 %

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: -0.23 ppm, Outliers: 1 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: -0.23 ppm, Outliers: 1 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: 0.05 ppm, Outliers: 1 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: -0.25 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KJ9, Strand ID: A Detail

Release date

2012-08-02

Citation

NMR structure of IntB phage-integrase-like protein fragment 90-199 from Erwinia carotova subsp. atroseptica
Cort, J.R., Montelione, G.T., Kennedy, M.A.
Not known

Related entities 1. IntB phage-integrase-like protein, : 1 : 12 entities Detail

Experiments performed 14 experiments Detail

1 3D 1H-15N NOESY