BMRB: 5183

BetaCore, a designed water soluble four-stranded antiparallel b-sheet protein

Authors

Carulla, N., Woodward, C., Barany, G.

Assembly

BetaCore

Entity

1. BetaCore (polymer, Thiol state: all disulfide bound), 26 monomers, 2957.409 Da Detail

XKAXIIRYFY NAKDGLXQTF VYGGCX

2. BetaCore (polymer, Thiol state: all disulfide bound), 26 monomers, 2983.406 Da Detail

XKARIIRYFY NAKDGXXQTF VYGGCX

Total weight

5940.815 Da

Max. entity weight

2983.406 Da

Entity Connection

disulfide 2, oxime 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:MPT1:SG	1:CYS25:SG
2	disulfide	sing	2:MPT1:SG	2:CYS25:SG
3	oxime	doub	1:CLG4:NM	2:CLH16:CL

Source organism

Bos taurus

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete1

Sequence coverage: 40.4 %, Completeness: 35.0 %, Completeness (bb): 39.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	35.0 % (114 of 326)	37.8 % (105 of 278)	18.8 % (9 of 48)
Backbone	39.1 % (54 of 138)	47.9 % (45 of 94)	20.5 % (9 of 44)
Sidechain	31.9 % (60 of 188)	32.6 % (60 of 184)	0.0 % (0 of 4)
Aromatic	40.9 % (18 of 44)	40.9 % (18 of 44)
Methyl	40.0 % (8 of 20)	40.0 % (8 of 20)

1. BetaCore

XKAXIIRYFY NAKDGLXQTF VYGGCX

2. BetaCore

XKARIIRYFY NAKDGXXQTF VYGGCX

Show sample condition

Sample

Temperature 288 (±1) K, pH 3 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	BetaCore	[38% selectively 15N]		0.4 mM
2	BetaCore	[38% selectively 15N]		0.4 mM

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Chem. Shift Complete2

Sequence coverage: 42.3 %, Completeness: 35.1 %, Completeness (bb): 39.5 % Detail

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• BMRB/XML (partial)
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Polymer type: polypeptide(L)

	Total	1H	15N
All	35.1 % (229 of 652)	38.1 % (212 of 556)	17.7 % (17 of 96)
Backbone	39.5 % (109 of 276)	48.9 % (92 of 188)	19.3 % (17 of 88)
Sidechain	31.9 % (120 of 376)	32.6 % (120 of 368)	0.0 % (0 of 8)
Aromatic	38.6 % (34 of 88)	38.6 % (34 of 88)
Methyl	37.5 % (15 of 40)	37.5 % (15 of 40)

1. BetaCore

XKAXIIRYFY NAKDGLXQTF VYGGCX

2. BetaCore

XKARIIRYFY NAKDGXXQTF VYGGCX

Show sample condition

Sample

Temperature 288 (±1) K, pH 3 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	BetaCore	[38% selectively 15N]		0.4 mM
2	BetaCore	[38% selectively 15N]		0.4 mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 1K09, Strand ID: A, B Detail

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Coupling constant

17 J values in 2 lists
Temperature 288 (±1) K, pH 3 (±0.2) Detail

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Temperature 288 (±1) K, pH 3 (±0.2)

Experiment name 15N-1H HSQC

List #1 coupling_constants_1

List #2 coupling_constants_2

Release date

2001-10-17

Citation 1

BetaCore, a designed water soluble four-stranded antiparallel beta-sheet protein
Carulla, N., Woodward, C., Barany, G.
Protein Sci. (2002), 11, 1539-1551, PubMed 12021452 , DOI 10.1110/ps.4440102 , Abstract

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Citation 2

Synthesis and characterization of a beta-hairpin peptide that represents a 'core module' of bovine pancreatic trypsin inhibitor (BPTI)
Carulla, N., Woodward, C., Barany, G.
Biochemistry (2000), 39, 7927-7937, PubMed 10891073 , DOI 10.1021/bi992927l , Abstract

Citation 3

Toward new designed proteins derived from bovine pancreatic trypsin inhibitor (BPTI): covalent cross-linking of two 'core modules' by oxime-forming ligation
Carulla, N., Woodward, C., Barany, G.
Bioconjug. Chem. (2001), 12, 726-741, PubMed 11562191 , DOI 10.1021/bc015518m , Abstract

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Related entities 1. BetaCore, : 1 : 135 entities Detail

Related entities 2. BetaCore, : 39 entities Detail

Interaction partners 1. BetaCore, : 8 interactors Detail

Experiments performed 5 experiments Detail