BMRBj - BMREntryMaster

Found 1 Document (1.665 seconds)

BMRB: 6231

2GO0

1H, 13C and 15N resonance assignments and secondary structure of human pancreatitis-associated protein (hPAP)

Authors

Ho, M., Lou, Y., Lin, W., Lyu, P., Chen, C.

Assembly

hPAP

Entity

1. hPAP (polymer, Thiol state: all disulfide bound), 137 monomers, 15159.75 Da Detail

RCPKGSKAYG SHCYALFLSP KSWTDADLAC QKRPSGNLVS VLSGAEGSFV SSLVKSIGNS YSYVWIGLHD PTQGTEPNGE GWEWSSSDVM NYFAWERNPS TISSPGHCAS LSRSTAFLRW KDYNCNVRLP YVCKFTD

Formula weight

15159.75 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS2:SG	1:CYS13:SG
2	disulfide	sing	1:CYS30:SG	1:CYS133:SG
3	disulfide	sing	1:CYS108:SG	1:CYS125:SG

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

distance geometry, simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 92.1 %, Completeness (bb): 99.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.1 % (1432 of 1554)	91.9 % (737 of 802)	90.8 % (552 of 608)	99.3 % (143 of 144)
Backbone	99.8 % (804 of 806)	99.3 % (275 of 277)	100.0 % (400 of 400)	100.0 % (129 of 129)
Sidechain	86.3 % (754 of 874)	88.0 % (462 of 525)	83.2 % (278 of 334)	93.3 % (14 of 15)
Aromatic	51.6 % (98 of 190)	54.7 % (52 of 95)	44.9 % (40 of 89)	100.0 % (6 of 6)
Methyl	98.2 % (110 of 112)	100.0 % (56 of 56)	96.4 % (54 of 56)

1. human pancreatitis-associated protein

RCPKGSKAYG SHCYALFLSP KSWTDADLAC QKRPSGNLVS VLSGAEGSFV SSLVKSIGNS YSYVWIGLHD PTQGTEPNGE GWEWSSSDVM NYFAWERNPS TISSPGHCAS LSRSTAFLRW KDYNCNVRLP YVCKFTD

Show sample condition

Sample

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N]		1.0 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: 1.45 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: 1.45 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: 0.46 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2GO0, Strand ID: A Detail

Release date

2004-06-10

Citation

Letter to the Editor: 1H, 13C and 15N resonance assignments and secondary structure of human pancreatitis-associated protein (hPAP)
Ho, M., Lou, Y., Lin, W., Lyu, P., Chen, C.
J. Biomol. NMR (2004), 30, 381-382

Related entities 1. hPAP, : 1 : 4 : 367 entities Detail

Interaction partners 1. hPAP, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 12 experiments Detail

1 15N HSQC

Instrument

#1 Model Bruker AVA (500 MHz)

#2 Model Bruker AVA (600 MHz)

#3 Model Bruker DRX (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N; U-65% 2H]		1.0 mM

Sample #3

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	human pancreatitis-associated protein	[U-90% 15N]		1.0 mM

2 13C HSQC

Instrument

#1 Model Bruker AVA (500 MHz)

#2 Model Bruker AVA (600 MHz)

#3 Model Bruker DRX (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N; U-65% 2H]		1.0 mM

Sample #3

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	human pancreatitis-associated protein	[U-90% 15N]		1.0 mM

3 CBCA(CO)NH

Instrument

#1 Model Bruker AVA (500 MHz)

#2 Model Bruker AVA (600 MHz)

#3 Model Bruker DRX (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N; U-65% 2H]		1.0 mM

Sample #3

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	human pancreatitis-associated protein	[U-90% 15N]		1.0 mM

4 HNCACB

Instrument

#1 Model Bruker AVA (500 MHz)

#2 Model Bruker AVA (600 MHz)

#3 Model Bruker DRX (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N; U-65% 2H]		1.0 mM

Sample #3

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	human pancreatitis-associated protein	[U-90% 15N]		1.0 mM

5 HNCO

Instrument

#1 Model Bruker AVA (500 MHz)

#2 Model Bruker AVA (600 MHz)

#3 Model Bruker DRX (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N; U-65% 2H]		1.0 mM

Sample #3

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	human pancreatitis-associated protein	[U-90% 15N]		1.0 mM

6 HN(CA)CO

Instrument

#1 Model Bruker AVA (500 MHz)

#2 Model Bruker AVA (600 MHz)

#3 Model Bruker DRX (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N; U-65% 2H]		1.0 mM

Sample #3

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	human pancreatitis-associated protein	[U-90% 15N]		1.0 mM

7 C(CO)NH

Instrument

#1 Model Bruker AVA (500 MHz)

#2 Model Bruker AVA (600 MHz)

#3 Model Bruker DRX (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N; U-65% 2H]		1.0 mM

Sample #3

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	human pancreatitis-associated protein	[U-90% 15N]		1.0 mM

8 H(CCO)NH

Instrument

#1 Model Bruker AVA (500 MHz)

#2 Model Bruker AVA (600 MHz)

#3 Model Bruker DRX (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N; U-65% 2H]		1.0 mM

Sample #3

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	human pancreatitis-associated protein	[U-90% 15N]		1.0 mM

9 15N NOESY

Instrument

#1 Model Bruker AVA (500 MHz)

#2 Model Bruker AVA (600 MHz)

#3 Model Bruker DRX (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N; U-65% 2H]		1.0 mM

Sample #3

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	human pancreatitis-associated protein	[U-90% 15N]		1.0 mM

10 HBHA(CO)NH

Instrument

#1 Model Bruker AVA (500 MHz)

#2 Model Bruker AVA (600 MHz)

#3 Model Bruker DRX (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N; U-65% 2H]		1.0 mM

Sample #3

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	human pancreatitis-associated protein	[U-90% 15N]		1.0 mM

11 HBHA

Instrument

#1 Model Bruker AVA (500 MHz)

#2 Model Bruker AVA (600 MHz)

#3 Model Bruker DRX (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N; U-65% 2H]		1.0 mM

Sample #3

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	human pancreatitis-associated protein	[U-90% 15N]		1.0 mM

12 13C HCCH-TOCSY

Instrument

#1 Model Bruker AVA (500 MHz)

#2 Model Bruker AVA (600 MHz)

#3 Model Bruker DRX (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N]		1.0 mM

Sample #2

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	human pancreatitis-associated protein	[U-95% 13C; U-90% 15N; U-65% 2H]		1.0 mM

Sample #3

Temperature 298 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	human pancreatitis-associated protein	[U-90% 15N]		1.0 mM

nullKeywords NMR, fibril, gastric cancer, lectin, three-dimentional structure

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Found 1 Document (1.665 seconds)

BMRB: 6231

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. hPAP, : 1 : 4 : 367 entities Detail

Interaction partners 1. hPAP, : 1 interactors Detail

Experiments performed 12 experiments Detail

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