BMRB: 15106

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

Authors

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

Assembly

clip monomer

Entity

1. clip monomer (polymer, Thiol state: all disulfide bound), 54 monomers, 5783.453 Da Detail

LSCLTPDNKP GKCVNIKKCT HLAEIEEDPI GEDETTYLKN SVCAGPEDNS VCCG

Formula weight

5783.453 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS52:SG
2	disulfide	sing	1:CYS13:SG	1:CYS43:SG
3	disulfide	sing	1:CYS19:SG	1:CYS53:SG

Source organism

Manduca sexta

Exptl. method

solution NMR

Refine. method

distance geometry,

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 85.2 %, Completeness (bb): 96.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	85.2 % (494 of 580)	80.5 % (243 of 302)	89.3 % (200 of 224)	94.4 % (51 of 54)
Backbone	96.8 % (306 of 316)	98.1 % (106 of 108)	96.2 % (152 of 158)	96.0 % (48 of 50)
Sidechain	75.8 % (238 of 314)	70.6 % (137 of 194)	84.5 % (98 of 116)	75.0 % (3 of 4)
Aromatic	0.0 % (0 of 12)	0.0 % (0 of 6)	0.0 % (0 of 6)
Methyl	94.2 % (49 of 52)	96.2 % (25 of 26)	92.3 % (24 of 26)

1. Prophenoloxidase activating proteinase-2

LSCLTPDNKP GKCVNIKKCT HLAEIEEDPI GEDETTYLKN SVCAGPEDNS VCCG

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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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Protein Blocks Logo

Calculated from 20 models in PDB: 2IKE, 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

Related entities 1. clip monomer, : 1 : 8 entities Detail

Experiments performed 2 experiments Detail