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Found 1 Document (3.472 seconds)

BMRB: 5688

1N5H

Backbone 1H, 13C, and 15N Chemical Shifts Assignment for the all-trans conformer of the cathelin-like domain of the protegrin-3 precursor

Authors

Yang, Y.S., Sanchez, J.F., Strub, M.P., Brutscher, B., Aumelas, A.

Assembly

cathelin-like domain of the protegrin-3 precursor

Entity

1. cathelin-like domain of the protegrin-3 precursor (polymer, Thiol state: all disulfide bound), 105 monomers, 11722.09 Da Detail

GSHMQALSYR EAVLRAVDRL NEQSSEANLY RLLELDQPPK ADEDPGTPKP VSFTVKETVC PRPTRQPPEL CDFKENGRVK QCVGTVTLDQ IKDPLDITCN EVQGV

Formula weight

11722.09 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS60:SG	1:CYS71:SG
2	disulfide	sing	1:CYS82:SG	1:CYS99:SG

Source organism

Sus scrofa

Exptl. method

NMR

Refine. method

distance geometry and simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 77.6 %, Completeness (bb): 85.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	77.6 % (933 of 1203)	94.2 % (597 of 634)	52.3 % (242 of 463)	88.7 % (94 of 106)
Backbone	85.2 % (520 of 610)	98.5 % (202 of 205)	72.6 % (225 of 310)	97.9 % (93 of 95)
Sidechain	63.3 % (439 of 693)	92.1 % (395 of 429)	17.0 % (43 of 253)	9.1 % (1 of 11)
Aromatic	50.0 % (20 of 40)	90.0 % (18 of 20)	10.0 % (2 of 20)
Methyl	58.0 % (65 of 112)	100.0 % (56 of 56)	16.1 % (9 of 56)

1. cathelin-like domain

GSHMQALSYR EAVLRAVDRL NEQSSEANLY RLLELDQPPK ADEDPGTPKP VSFTVKETVC PRPTRQPPEL CDFKENGRVK QCVGTVTLDQ IKDPLDITCN EVQGV

Show sample condition

Sample

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
1	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
2	phosphate buffer		50 mM
3	H2O		95 %
4	D2O		5 %

Chem. Shift Complete2

Sequence coverage: 100.0 %, Completeness: 79.4 %, Completeness (bb): 86.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.4 % (1911 of 2406)	94.6 % (1200 of 1268)	56.3 % (521 of 926)	89.6 % (190 of 212)
Backbone	86.4 % (1054 of 1220)	98.8 % (405 of 410)	74.7 % (463 of 620)	97.9 % (186 of 190)
Sidechain	66.4 % (920 of 1386)	92.7 % (795 of 858)	23.9 % (121 of 506)	18.2 % (4 of 22)
Aromatic	50.0 % (40 of 80)	90.0 % (36 of 40)	10.0 % (4 of 40)
Methyl	61.2 % (137 of 224)	100.0 % (112 of 112)	22.3 % (25 of 112)

1. cathelin-like domain

GSHMQALSYR EAVLRAVDRL NEQSSEANLY RLLELDQPPK ADEDPGTPKP VSFTVKETVC PRPTRQPPEL CDFKENGRVK QCVGTVTLDQ IKDPLDITCN EVQGV

Show sample condition

Sample

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
1	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
2	phosphate buffer		50 mM
3	H2O		95 %
4	D2O		5 %

Chem. Shift Complete3

Sequence coverage: 100.0 %, Completeness: 78.8 %, Completeness (bb): 86.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	78.8 % (2844 of 3609)	93.9 % (1786 of 1902)	55.7 % (774 of 1389)	89.3 % (284 of 318)
Backbone	86.0 % (1573 of 1830)	98.5 % (606 of 615)	73.9 % (687 of 930)	98.2 % (280 of 285)
Sidechain	65.4 % (1359 of 2079)	91.7 % (1180 of 1287)	23.1 % (175 of 759)	12.1 % (4 of 33)
Aromatic	45.0 % (54 of 120)	83.3 % (50 of 60)	6.7 % (4 of 60)
Methyl	60.1 % (202 of 336)	99.4 % (167 of 168)	20.8 % (35 of 168)

1. cathelin-like domain

GSHMQALSYR EAVLRAVDRL NEQSSEANLY RLLELDQPPK ADEDPGTPKP VSFTVKETVC PRPTRQPPEL CDFKENGRVK QCVGTVTLDQ IKDPLDITCN EVQGV

Show sample condition

Sample

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
1	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
2	phosphate buffer		50 mM
3	H2O		95 %
4	D2O		5 %

Chem. Shift Complete4

Sequence coverage: 100.0 %, Completeness: 79.2 %, Completeness (bb): 86.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.2 % (3812 of 4812)	94.0 % (2383 of 2536)	56.7 % (1050 of 1852)	89.4 % (379 of 424)
Backbone	86.1 % (2100 of 2440)	98.3 % (806 of 820)	74.4 % (922 of 1240)	97.9 % (372 of 380)
Sidechain	65.8 % (1825 of 2772)	91.5 % (1570 of 1716)	24.5 % (248 of 1012)	15.9 % (7 of 44)
Aromatic	45.0 % (72 of 160)	85.0 % (68 of 80)	5.0 % (4 of 80)
Methyl	60.9 % (273 of 448)	98.2 % (220 of 224)	23.7 % (53 of 224)

1. cathelin-like domain

GSHMQALSYR EAVLRAVDRL NEQSSEANLY RLLELDQPPK ADEDPGTPKP VSFTVKETVC PRPTRQPPEL CDFKENGRVK QCVGTVTLDQ IKDPLDITCN EVQGV

Show sample condition

Sample

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
1	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
2	phosphate buffer		50 mM
3	H2O		95 %
4	D2O		5 %

Protein Blocks Logo

Calculated from 15 models in PDB: 1N5P, Strand ID: A Detail

Release date

2003-10-07

Citation

NMR structure of the cathelin-like domain of the protegrin-3 precursor
Yang, Y., Sanchez, J.F., Strub, M.P., Brutscher, B., Aumelas, A.
Biochemistry (2003), 42, 4669-4680, PubMed 12705830 , DOI 10.1021/bi027133c , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: P49933 released on 1996-10-01
Title PG4_PIG Entity Protegrin-4

Related entities 1. cathelin-like domain of the protegrin-3 precursor, : 1 : 1 : 3 : 73 entities Detail

Experiments performed 6 experiments Detail

1 HNCA

Instrument

#1 Model Bruker Avance (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
1	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
2	phosphate buffer		50 mM
3	H2O		95 %
4	D2O		5 %

Sample #2

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
5	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
6	phosphate buffer		50 mM
7	D2O		100 %

2 HNCO

Instrument

#1 Model Bruker Avance (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
1	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
2	phosphate buffer		50 mM
3	H2O		95 %
4	D2O		5 %

Sample #2

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
5	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
6	phosphate buffer		50 mM
7	D2O		100 %

3 CBCA(CO)NH

Instrument

#1 Model Bruker Avance (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
1	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
2	phosphate buffer		50 mM
3	H2O		95 %
4	D2O		5 %

Sample #2

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
5	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
6	phosphate buffer		50 mM
7	D2O		100 %

4 3D 15N-separated NOESY

Instrument

#1 Model Bruker Avance (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
1	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
2	phosphate buffer		50 mM
3	H2O		95 %
4	D2O		5 %

Sample #2

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
5	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
6	phosphate buffer		50 mM
7	D2O		100 %

5 HC(C)H-TOCSY

Instrument

#1 Model Bruker Avance (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
1	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
2	phosphate buffer		50 mM
3	H2O		95 %
4	D2O		5 %

Sample #2

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
5	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
6	phosphate buffer		50 mM
7	D2O		100 %

6 3D 13C-separated NOESY

Instrument

#1 Model Bruker Avance (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
1	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
2	phosphate buffer		50 mM
3	H2O		95 %
4	D2O		5 %

Sample #2

Pressure 1 atm, Temperature 300 (±0.1) K, pH 6.2 (±0)

#	Name	Isotope labeling	Concentration
5	cathelin-like domain	[U-15N; U-13C]	1.5 ~ 2.0 mM
6	phosphate buffer		50 mM
7	D2O		100 %

nullKeywords cathelin-like domain, cathelicidin, proline isomerization, cystatin fold

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Found 1 Document (3.472 seconds)

BMRB: 5688

Sample

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Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. cathelin-like domain of the protegrin-3 precursor, : 1 : 1 : 3 : 73 entities Detail

Experiments performed 6 experiments Detail

Instrument

Sample #1

Sample #2

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