BMRB: 15105

Solution Structure of the first Clip domain in PAP2 (CASP Target)

Authors

Lv, Z.Q., Huang, R.D., Dai, H.E., Velde, D.V., Prakash, O., Jiang, H.B.

Assembly

clip monomer

Entity

1. clip monomer (polymer, Thiol state: all disulfide bound), 66 monomers, 7287.304 Da Detail

MHHHHHHAMG QACTLPNNDK GTCKSLLQCD VASKIISKKP RTAQDEKFLR ESACGFDGQT PKVCCP

Formula weight

7287.304 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS13:SG	1:CYS64:SG
2	disulfide	sing	1:CYS23:SG	1:CYS54:SG
3	disulfide	sing	1:CYS29:SG	1:CYS65:SG

Source organism

Manduca sexta

Exptl. method

solution NMR

Refine. method

distance geometry,

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 86.4 %, Completeness: 74.9 %, Completeness (bb): 82.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	74.9 % (557 of 744)	73.4 % (287 of 391)	76.5 % (218 of 285)	76.5 % (52 of 68)
Backbone	82.2 % (319 of 388)	83.3 % (110 of 132)	82.5 % (160 of 194)	79.0 % (49 of 62)
Sidechain	69.9 % (292 of 418)	68.3 % (177 of 259)	73.2 % (112 of 153)	50.0 % (3 of 6)
Aromatic	2.3 % (1 of 44)	4.5 % (1 of 22)	0.0 % (0 of 22)
Methyl	92.0 % (46 of 50)	96.0 % (24 of 25)	88.0 % (22 of 25)

1. Prophenoloxidase activating proteinase-2

MHHHHHHAMG QACTLPNNDK GTCKSLLQCD VASKIISKKP RTAQDEKFLR ESACGFDGQT PKVCCP

Show sample condition

Sample

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details 1 mM Dual-Clip domain U-15N,13C, 100 mM phosphate buffer NA, 90% H2O, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Prophenoloxidase activating proteinase-2	[U-100% 13C; U-100% 15N]		1.0 mM
2	phosphate buffer	natural abundance		100 mM

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LACS Plot; CA

Referencing offset: -0.2 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	13C-glucose	carbons	0.0 ppm	na	indirect	0.2514495
1H	water	protons	0.0 ppm	na	indirect	1.0
15N	[15N] ammonium chloride	nitrogen	0.0 ppm	na	indirect	0.1013292

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LACS Plot; CB

Referencing offset: -0.2 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	13C-glucose	carbons	0.0 ppm	na	indirect	0.2514495
1H	water	protons	0.0 ppm	na	indirect	1.0
15N	[15N] ammonium chloride	nitrogen	0.0 ppm	na	indirect	0.1013292

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LACS Plot; HA

Referencing offset: 0.04 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	13C-glucose	carbons	0.0 ppm	na	indirect	0.2514495
1H	water	protons	0.0 ppm	na	indirect	1.0
15N	[15N] ammonium chloride	nitrogen	0.0 ppm	na	indirect	0.1013292

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LACS Plot; CO

Referencing offset: -0.02 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	13C-glucose	carbons	0.0 ppm	na	indirect	0.2514495
1H	water	protons	0.0 ppm	na	indirect	1.0
15N	[15N] ammonium chloride	nitrogen	0.0 ppm	na	indirect	0.1013292

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Protein Blocks Logo

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

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Release date

2008-06-24

Citation

The solution structure of clip domains from Manduca sexta prophenoloxidase activating proteinase-2
Huang, R.D., Lu, Z.Q., Dai, H.E., Velde, D.V., Prakash, O., Jiang, H.B.
Biochemistry (2007), 46, 11431-11439, PubMed 17880110 , DOI 10.1021/bi7010724 , Abstract

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. clip monomer, : 1 : 16 entities Detail

Experiments performed 2 experiments Detail