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Found 1 Document (1.223 seconds)

BMRB: 5557

1MM5

Solution NMR structure of the outer membrane enzyme PagP in DPC micelles

Authors

Hwang, P.M., Choy, W., Lo, E.I., Chen, L., Forman-Kay, J.D., Raetz, C.R.H., Prive, G.G., Bishop, R.E., Kay, L.E.

Assembly

CrcA protein

Entity

1. CrcA protein (polymer, Thiol state: not present), 170 monomers, 20175.22 Da Detail

MNADEWMTTF RENIAQTWQQ PEHYDLYIPA ITWHARFAYD KEKTDRYNER PWGGGFGLSR WDEKGNWHGL YAMAFKDSWN KWEPIAGYGW ESTWRPLADE NFHLGLGFTA GVTARDNWNY IPLPVLLPLA SVGYGPVTFQ MTYIPGTYNN GNVYFAWMRF QFLEHHHHHH

Formula weight

20175.22 Da

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 95.9 %, Completeness: 41.9 %, Completeness (bb): 76.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	41.9 % (869 of 2076)	23.2 % (249 of 1071)	57.8 % (472 of 817)	78.7 % (148 of 188)
Backbone	76.8 % (768 of 1000)	49.0 % (169 of 345)	91.3 % (452 of 495)	91.9 % (147 of 160)
Sidechain	20.3 % (250 of 1231)	11.2 % (81 of 726)	35.2 % (168 of 477)	3.6 % (1 of 28)
Aromatic	0.5 % (2 of 372)	0.5 % (1 of 186)	0.0 % (0 of 174)	8.3 % (1 of 12)
Methyl	22.1 % (30 of 136)	14.7 % (10 of 68)	29.4 % (20 of 68)

1. PhoPQ-activated gene P

MNADEWMTTF RENIAQTWQQ PEHYDLYIPA ITWHARFAYD KEKTDRYNER PWGGGFGLSR WDEKGNWHGL YAMAFKDSWN KWEPIAGYGW ESTWRPLADE NFHLGLGFTA GVTARDNWNY IPLPVLLPLA SVGYGPVTFQ MTYIPGTYNN GNVYFAWMRF QFLEHHHHHH

Show sample condition

Sample

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
2	phosphate		50 mM
3	DPC		16 %
4	H2O		90 %
5	D2O		10 %

Chem. Shift Complete2

Sequence coverage: 94.7 %, Completeness: 41.3 %, Completeness (bb): 77.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	41.3 % (1714 of 4152)	22.2 % (476 of 2142)	57.5 % (940 of 1634)	79.3 % (298 of 376)
Backbone	77.0 % (1540 of 2000)	49.0 % (338 of 690)	91.4 % (905 of 990)	92.8 % (297 of 320)
Sidechain	18.8 % (463 of 2462)	9.6 % (139 of 1452)	33.9 % (323 of 954)	1.8 % (1 of 56)
Aromatic	2.7 % (20 of 744)	3.5 % (13 of 372)	1.7 % (6 of 348)	4.2 % (1 of 24)
Methyl	20.2 % (55 of 272)	13.2 % (18 of 136)	27.2 % (37 of 136)

1. PhoPQ-activated gene P

MNADEWMTTF RENIAQTWQQ PEHYDLYIPA ITWHARFAYD KEKTDRYNER PWGGGFGLSR WDEKGNWHGL YAMAFKDSWN KWEPIAGYGW ESTWRPLADE NFHLGLGFTA GVTARDNWNY IPLPVLLPLA SVGYGPVTFQ MTYIPGTYNN GNVYFAWMRF QFLEHHHHHH

Show sample condition

Sample

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
7	phosphate		50 mM
8	DPC		16 %
9	H2O		90 %
10	D2O		10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	hydroxyl	4.58 ppm	internal	direct	0.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

Referencing offset: 0.58 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	hydroxyl	4.58 ppm	internal	direct	0.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

Referencing offset: 0.58 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	hydroxyl	4.58 ppm	internal	direct	0.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

Referencing offset: 0.63 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 1MM4, Strand ID: A Detail

Release date

2002-12-26

Citation

Solution structure and dynamics of the outer membrane enzyme PagP by NMR
Hwang, P.M., Choy, W., Lo, E.I., Chen, L., Forman-Kay, J.D., Raetz, C.R.H., Prive, G.G., Bishop, R.E., Kay, L.E.
Proc. Natl. Acad. Sci. U. S. A. (2002), 99, 13560-13565, PubMed 12357033 , DOI 10.1073/pnas.212344499 , Abstract

Related entities 1. CrcA protein, : 1 : 2 : 10 : 44 entities Detail

Experiments performed 7 experiments Detail

1 4D 15N-separated NOESY

Instrument

Model Varian INOVA (800 MHz)

Sample #1

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
2	phosphate		50 mM
3	DPC		16 %
4	H2O		90 %
5	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
7	phosphate		50 mM
8	DPC		16 %
9	H2O		90 %
10	D2O		10 %

2 HNCA

Instrument

Model Varian INOVA (800 MHz)

Sample #1

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
2	phosphate		50 mM
3	DPC		16 %
4	H2O		90 %
5	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
7	phosphate		50 mM
8	DPC		16 %
9	H2O		90 %
10	D2O		10 %

3 HN(CO)CA

Instrument

Model Varian INOVA (800 MHz)

Sample #1

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
2	phosphate		50 mM
3	DPC		16 %
4	H2O		90 %
5	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
7	phosphate		50 mM
8	DPC		16 %
9	H2O		90 %
10	D2O		10 %

4 HN(CA)CB

Instrument

Model Varian INOVA (800 MHz)

Sample #1

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
2	phosphate		50 mM
3	DPC		16 %
4	H2O		90 %
5	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
7	phosphate		50 mM
8	DPC		16 %
9	H2O		90 %
10	D2O		10 %

5 HN(COCA)CB

Instrument

Model Varian INOVA (800 MHz)

Sample #1

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
2	phosphate		50 mM
3	DPC		16 %
4	H2O		90 %
5	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
7	phosphate		50 mM
8	DPC		16 %
9	H2O		90 %
10	D2O		10 %

6 HNCO

Instrument

Model Varian INOVA (800 MHz)

Sample #1

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
2	phosphate		50 mM
3	DPC		16 %
4	H2O		90 %
5	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
7	phosphate		50 mM
8	DPC		16 %
9	H2O		90 %
10	D2O		10 %

7 HN(CA)CO

Instrument

Model Varian INOVA (800 MHz)

Sample #1

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
2	phosphate		50 mM
3	DPC		16 %
4	H2O		90 %
5	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 318 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	PhoPQ-activated gene P	[U-2H;U-15N;U-13C]	0.8 mM
7	phosphate		50 mM
8	DPC		16 %
9	H2O		90 %
10	D2O		10 %

nullKeywords beta barrel, Palmitoyltransferase

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Found 1 Document (1.223 seconds)

BMRB: 5557

Sample

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. CrcA protein, : 1 : 2 : 10 : 44 entities Detail

Experiments performed 7 experiments Detail

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