BMRB: 6888

1H, 15N Assignment of Neocarzinostatin Apo-Protein complexed with Flavone

Authors

Muskett, F.W., Stoneman, R., Caddick, S., Woolfson, D.N.

Assembly

Neocarzinostatin apo-protein with Flavone

Entity

1. Neocarzinostatin (polymer, Thiol state: all disulfide bound), 122 monomers, 12217.18 Da Detail

HHHHHHLQGA APTATVTPSS GLSDGTVVKV AGAGLQAGTA YDVGQCAWVD TGVLACNPAD FSSVTADANG SASTSLTVRR SFEGFLFDGT RWGTVDCTTA ACQVGLSDAA GNGPEGVAIS FN

2. Flavone (non-polymer), na Da

Formula weight

12217.18 Da

Entity Connection

disulfide 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS46:SG	1:CYS56:SG
2	disulfide	sing	1:CYS97:SG	1:CYS102:SG

Source organism

Streptomyces carzinostaticus

Exptl. method

NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.8 %, Completeness: 83.2 %, Completeness (bb): 90.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	83.2 % (609 of 732)	81.5 % (492 of 604)	91.4 % (117 of 128)
Backbone	90.4 % (338 of 374)	89.8 % (230 of 256)	91.5 % (108 of 118)
Sidechain	76.0 % (272 of 358)	75.6 % (263 of 348)	90.0 % (9 of 10)
Aromatic	43.6 % (24 of 55)	41.5 % (22 of 53)	100.0 % (2 of 2)
Methyl	98.6 % (70 of 71)	98.6 % (70 of 71)

1. Neocarzinostatin

HHHHHHLQGA APTATVTPSS GLSDGTVVKV AGAGLQAGTA YDVGQCAWVD TGVLACNPAD FSSVTADANG SASTSLTVRR SFEGFLFDGT RWGTVDCTTA ACQVGLSDAA GNGPEGVAIS FN

Show sample condition

Sample

Temperature 308 (±0.5) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Neocarzinostatin	[U-13C; U-15N]		1 mM
2	Flavone			1 mM
3	phosphate buffer			25 mM
4	sodium azide			0.005 % w/w

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Protein Blocks Logo

Calculated from 58 models in PDB: 2G0L, Strand ID: A Detail

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Release date

2007-02-05

Citation 1

Synthetic ligands for apo-neocarzinostatin
Caddick, S., Muskett, F.W., Stoneman, R., Woolfson, D.N.
J. Am. Chem. Soc. (2006), 128, 4204-4205, PubMed 16568976 , DOI 10.1021/ja058419i , Abstract

Show more 1 citaion

Citation 2

Solution structure of a novel chromoprotein derived from apo-neocarzinostatin and a synthetic chromophore
Urbaniak, M.D., Muskett, F.W., Finucane, M.D., Caddick, S., Woolfson, D.N.
Biochemistry (2002), 41, 11731-11739, PubMed 12269815 , DOI: , Abstract

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Related entities 1. Neocarzinostatin, : 1 : 3 : 9 : 3 entities Detail

Experiments performed 7 experiments Detail