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BMRB: 16373

2KKV

Solution NMR structure of an integrase domain from protein SPA4288 from Salmonella enterica, Northeast Structural Genomics Consortium Target SlR105H

Authors

Mills, J.L., Wu, Y., Sukumaran, D.K., Belote, R.L., Ciccosanti, C., Jiang, M., Nair, R., Rost, B., Acton, T.B., Xiao, R., Swapna, G., Everett, J.K., Montelione, G.T., Szyperski, T.

Assembly

SPA4288

Entity

1. SPA4288 (polymer, Thiol state: all free), 121 monomers, 14140.57 Da Detail

MENSGAYTFE TIAREWHESN KRWSEDHRSR VLRYLELYIF PHIGSSDIRQ LKTSHLLAPI KEVDTSGKHD VAQRLQQRVT AIMRYAVQND YIDSNPASDM AGALSTTKAR HYPLEHHHHH H

Formula weight

14140.57 Da

Source organism

Salmonella enterica

Exptl. method

solution NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.0 %, Completeness: 83.2 %, Completeness (bb): 79.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.2 % (1182 of 1420)	90.7 % (669 of 738)	71.1 % (394 of 554)	93.0 % (119 of 128)
Backbone	79.4 % (570 of 718)	91.7 % (222 of 242)	66.6 % (239 of 359)	93.2 % (109 of 117)
Sidechain	88.2 % (722 of 819)	90.1 % (447 of 496)	84.9 % (265 of 312)	90.9 % (10 of 11)
Aromatic	60.0 % (84 of 140)	72.9 % (51 of 70)	45.6 % (31 of 68)	100.0 % (2 of 2)
Methyl	100.0 % (118 of 118)	100.0 % (59 of 59)	100.0 % (59 of 59)

1. SlR105H

MENSGAYTFE TIAREWHESN KRWSEDHRSR VLRYLELYIF PHIGSSDIRQ LKTSHLLAPI KEVDTSGKHD VAQRLQQRVT AIMRYAVQND YIDSNPASDM AGALSTTKAR HYPLEHHHHH H

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	SlR105H	[U-99% 13C; U-99% 15N]	0.7 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	DSS	natural abundance	50 uM
5	DTT	natural abundance	10 mM
6	zinc sulfate	natural abundance	20 uM
7	sodium azide	natural abundance	0.02 %
8	sodium chloride	natural abundance	450 mM
9	sodium phosphate	natural abundance	25 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
10	SlR105H	[U-5% 13C; U-99% 15N]	0.7 mM
11	D2O	[U-2H]	10 %
12	H2O	natural abundance	90 %
13	DSS	natural abundance	50 uM
14	DTT	natural abundance	10 mM
15	zinc sulfate	natural abundance	20 uM
16	sodium azide	natural abundance	0.02 %
17	sodium chloride	natural abundance	450 mM
18	sodium phosphate	natural abundance	25 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: -0.09 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: -0.09 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: 0.04 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2009-07-06

Citation

Solution NMR structure of an integrase domain from protein SPA4288 from Salmonella enterica, Northeast Structural Genomics Consortium Target SlR105H
Mills, J.L., Wu, Y., Sukumaran, D.K., Belote, R.L., Ciccosanti, C., Jiang, M., Nair, R., Rost, B., Acton, T.B., Xiao, R., Swapna, G., Everett, J.K., Montelione, G.T., Szyperski, T.
Not known

Related entities 1. SPA4288, : 1 : 12 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC