BMRBj - BMREntryMaster

Found 1 Document (1.022 seconds)

BMRB: 25776

2N6P

Solution NMR structure of Outer Membrane Protein G P92A mutant from Pseudomonas aeruginosa

Authors

Kucharska, I., Seelheim, P., Edrington, T.C., Liang, B., Tamm, L.K.

Assembly

Outer Membrane Protein G P92A mutant

Entity

1. Outer Membrane Protein G P92A mutant (polymer, Thiol state: not present), 215 monomers, 23662.36 Da Detail

MHKAGDFIIR GGFATVDPDD SSSDIKLDGA KQRGTKATVD SDTQLGLTFT YMFADKWGVE LVAATPFNHQ VDVKGLGPGL DGKLADIKQL PATLLLQYYP MGGTNSAFQP YGGLGVNYTT FFDEDLASNR KAQGFSSMKL QDSWGLAGEL GFDYMLNEHA LFNMAVWYMD IDTKASINGP SALGVNKTKV DVDVDPWVYM IGFGYKFLEH HHHHH

Formula weight

23662.36 Da

Source organism

Pseudomonas aeruginosa

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 82.8 %, Completeness: 37.8 %, Completeness (bb): 66.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	37.8 % (930 of 2461)	19.5 % (246 of 1261)	53.3 % (519 of 973)	72.7 % (165 of 227)
Backbone	66.6 % (848 of 1274)	41.7 % (186 of 446)	80.4 % (499 of 621)	78.7 % (163 of 207)
Sidechain	17.1 % (236 of 1378)	7.5 % (61 of 815)	31.9 % (173 of 543)	10.0 % (2 of 20)
Aromatic	0.7 % (2 of 286)	0.0 % (0 of 143)	1.4 % (2 of 139)	0.0 % (0 of 4)
Methyl	14.5 % (32 of 220)	10.0 % (11 of 110)	19.1 % (21 of 110)

1. entity

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6

#	Name	Isotope labeling	Concentration
1	entity	[U-13C; U-15N; U-2H]	1 mM
2	sodium phosphate	natural abundance	25 mM
3	potassium chloride	natural abundance	50 mM
4	sodium azide	natural abundance	0.05 %
5	1,2-dihexanoyl-sn-glycero-3-phosphocholine	natural abundance	0.9 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6

#	Name	Isotope labeling	Concentration
8	entity	[U-13C; U-15N; U-2H]	1 mM
9	sodium phosphate	natural abundance	25 mM
10	potassium chloride	natural abundance	50 mM
11	sodium azide	natural abundance	0.05 %
12	1,2-dihexanoyl-sn-glycero-3-phosphocholine	natural abundance	0.9 %
13	D2O	natural abundance	100 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6, Details protein was 15N-Phe labeled.

#	Name	Isotope labeling	Concentration
14	entity	natural abundance	1 mM
15	sodium phosphate	natural abundance	25 mM
16	potassium chloride	natural abundance	50 mM
17	sodium azide	natural abundance	0.05 %
18	1,2-dihexanoyl-sn-glycero-3-phosphocholine	natural abundance	0.9 %
19	H2O	natural abundance	90 %
20	D2O	natural abundance	10 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6, Details protein was 15N-Ile labeled.

#	Name	Isotope labeling	Concentration
21	entity	natural abundance	1 mM
22	sodium phosphate	natural abundance	25 mM
23	potassium chloride	natural abundance	50 mM
24	sodium azide	natural abundance	0.05 %
25	1,2-dihexanoyl-sn-glycero-3-phosphocholine	natural abundance	0.9 %
26	H2O	natural abundance	90 %
27	D2O	natural abundance	10 %

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6, Details protein was 15N-Asp labeled.

#	Name	Isotope labeling	Concentration
28	entity	natural abundance	1 mM
29	sodium phosphate	natural abundance	25 mM
30	potassium chloride	natural abundance	50 mM
31	sodium azide	natural abundance	0.05 %
32	1,2-dihexanoyl-sn-glycero-3-phosphocholine	natural abundance	0.9 %
33	H2O	natural abundance	90 %
34	D2O	natural abundance	10 %

Sample #6

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6, Details protein was 15N-Val labeled.

#	Name	Isotope labeling	Concentration
35	entity	natural abundance	1 mM
36	sodium phosphate	natural abundance	25 mM
37	potassium chloride	natural abundance	50 mM
38	sodium azide	natural abundance	0.05 %
39	1,2-dihexanoyl-sn-glycero-3-phosphocholine	natural abundance	0.9 %
40	H2O	natural abundance	90 %
41	D2O	natural abundance	10 %

Sample #7

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6, Details protein was 15N-Leu labeled.

#	Name	Isotope labeling	Concentration
42	entity	[U-15N]-Leu	1 mM
43	sodium phosphate	natural abundance	25 mM
44	potassium chloride	natural abundance	50 mM
45	sodium azide	natural abundance	0.05 %
46	1,2-dihexanoyl-sn-glycero-3-phosphocholine	natural abundance	0.9 %
47	H2O	natural abundance	90 %
48	D2O	natural abundance	10 %

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: -0.99 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: -0.99 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: 0.58 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N6P, Strand ID: A Detail

Release date

2015-12-27

Citation

OprG Harnesses the Dynamics of its Extracellular Loops to Transport Small Amino Acids across the Outer Membrane of Pseudomonas aeruginosa
Kucharska, I., Seelheim, P., Edrington, T.C., Liang, B., Tamm, L.K.
Structure (2015), 23, 2234-2245, PubMed 26655471 , DOI 10.1016/j.str.2015.10.009 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 25768 released on 2015-12-27
Title Solution NMR structure of Outer Membrane Protein G from Pseudomonas aeruginosa