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BMRB: 16315

2KJ8

NMR structure of fragment 87-196 from the putative phage integrase IntS of E. coli: Northeast Structural Genomics Consortium target ER652A

Authors

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

Assembly

putative phage integrase IntS

Entity

1. putative phage integrase IntS (polymer, Thiol state: all free), 236 monomers, 27637.02 Da Detail

SSNNNSFSAI YKEWYEHKKQ VWSVGYATEL AKMFDDDILP IIGGLEIQDI EPMQLLEVIR RFEDRGAMER ANKARRRCGE VFRYAIVTGR AKYNPAPDLA DAMKGYRKKN LEHHHHHHSS NNNSFSAIYK EWYEHKKQVW SVGYATELAK MFDDDILPII GGLEIQDIEP MQLLEVIRRF EDRGAMERAN KARRRCGEVF RYAIVTGRAK YNPAPDLADA MKGYRKKNLE HHHHHH

Formula weight

27637.02 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 58.9 %, Completeness: 50.8 %, Completeness (bb): 56.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	50.8 % (1442 of 2838)	48.1 % (718 of 1492)	52.9 % (580 of 1096)	57.6 % (144 of 250)
Backbone	56.1 % (786 of 1400)	54.2 % (259 of 478)	57.1 % (396 of 694)	57.5 % (131 of 228)
Sidechain	47.3 % (785 of 1660)	45.3 % (459 of 1014)	50.2 % (313 of 624)	59.1 % (13 of 22)
Aromatic	27.1 % (76 of 280)	28.6 % (40 of 140)	25.0 % (34 of 136)	50.0 % (2 of 4)
Methyl	59.4 % (126 of 212)	58.5 % (62 of 106)	60.4 % (64 of 106)

1. fragment 87-196

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	H2O	natural abundance	95 %
2	D2O	[U-2H]	5 %
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	calcium chloride	natural abundance	5 mM
6	DTT	natural abundance	10 mM
7	sodium azide	natural abundance	0.02 w/v
8	protein	[biosynthetically directed 5%C; U-99% 15N]	0.95 mM

Sample #2

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

#	Name	Isotope labeling	Concentration
9	D2O	[U-2H]	100 %
10	MES	natural abundance	20 mM
11	sodium chloride	natural abundance	200 mM
12	calcium chloride	natural abundance	5 mM
13	DTT	natural abundance	10 mM
14	sodium azide	natural abundance	0.02 w/v
15	protein	[U-99% 13C; U-99% 15N]	1.2 mM

Sample #3

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

#	Name	Isotope labeling	Concentration
16	D2O	[U-2H]	100 %
17	MES	natural abundance	20 mM
18	sodium chloride	natural abundance	200 mM
19	calcium chloride	natural abundance	5 mM
20	DTT	natural abundance	10 mM
21	sodium azide	natural abundance	0.02 w/v
22	protein	[5% 13C; natural abundance	1.2 mM

LACS Plot; CA

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

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.01 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.01 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KJ8, Strand ID: A Detail

Release date

2012-08-02

Citation

NMR structure of fragment 87-196 from the putative phage integrase IntS of E. coli
Cort, J.R., Montelione, G.T., Kennedy, M.A.
Not known

Experiments performed 13 experiments Detail

1 3D 1H-15N NOESY