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BMRB: 16161

2KEY

Solution NMR Structure of a domain from a Putative Phage Integrase Protein BF2284 from Bacteroides fragilis, Northeast Structural Genomics Consortium Target BfR257C

Authors

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

Assembly

BfR257C

Entity

1. BfR257C (polymer, Thiol state: all free), 112 monomers, 13455.16 Da Detail

MNNPSDFKSF HDFVASYMKT YSRRLEIGTF RHHKSCMRKF KEYCEGLQFH ELTEDFLRDY LIYMKKTLCN ADSTAQRNLS TIKIYVSAAI KKGYMENDPF KDFGLEHHHH HH

Formula weight

13455.16 Da

Source organism

Bacteroides fragilis

Exptl. method

solution NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.0 %, Completeness: 78.3 %, Completeness (bb): 79.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	78.3 % (1082 of 1381)	85.5 % (617 of 722)	65.9 % (357 of 542)	92.3 % (108 of 117)
Backbone	79.2 % (529 of 668)	91.2 % (206 of 226)	66.9 % (222 of 332)	91.8 % (101 of 110)
Sidechain	79.0 % (649 of 821)	82.9 % (411 of 496)	72.6 % (231 of 318)	100.0 % (7 of 7)
Aromatic	50.0 % (93 of 186)	62.4 % (58 of 93)	37.6 % (35 of 93)
Methyl	92.7 % (76 of 82)	92.7 % (38 of 41)	92.7 % (38 of 41)

1. BfR257C

MNNPSDFKSF HDFVASYMKT YSRRLEIGTF RHHKSCMRKF KEYCEGLQFH ELTEDFLRDY LIYMKKTLCN ADSTAQRNLS TIKIYVSAAI KKGYMENDPF KDFGLEHHHH HH

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	BfR257C	[U-99% 13C; U-99% 15N]	1.05 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	DSS	natural abundance	50 uM
5	DTT	natural abundance	10 mM
6	sodium chloride	natural abundance	200 mM
7	sodium azide	natural abundance	0.02 %
8	calcium chloride	natural abundance	5 mM
9	MES	natural abundance	20 mM

Sample #2

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

#	Name	Isotope labeling	Concentration
10	BfR257C	[U-5% 13C; U-99% 15N]	0.77 mM
11	D2O	[U-2H]	10 %
12	H2O	natural abundance	90 %
13	DSS	natural abundance	50 uM
14	DTT	natural abundance	10 mM
15	sodium chloride	natural abundance	200 mM
16	sodium azide	natural abundance	0.02 %
17	calcium chloride	natural abundance	5 mM
18	MES	natural abundance	20 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: -0.26 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: -0.26 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: 0.13 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2009-03-11

Citation

Solution NMR Structure of a domain from a Putative Phage Integrase Protein, BF2284, from Bacteroides fragilis, Northeast Structural Genomics Consortium Target BfR257C
Mills, J.L., Sathyamoorthy, B., Sukumaran, D.K., Lee, D., Ciccosanti, C., Jiang, M., Xiao, R., Acton, T.B., Swapna, G., Rost, B., Nair, R., Everett, J.K., Montelione, G.T., Szyperski, T.
Not known

Related entities 1. BfR257C, : 1 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC