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BMRB: 5969


5969
1O5P
Solution Structure of holo-Neocarzinostatin
Authors
Takashima, H., Ishino, T., Yoshida, T., Hasuda, K., Ohkubo, T., Kobayashi, Y.
Assembly
holo-neocarzinostatin
Entity
1. Neocarzinostatin (polymer, Thiol state: all disulfide bound), 113 monomers, 11096.01 Da Detail

AAPTATVTPS SGLSDGTVVK VAGAGLQAGT AYDVGQCAWV DTGVLACNPA DFSSVTADAN GSASTSLTVR RSFEGFLFDG TRWGTVDCTT AACQVGLSDA AGNGPEGVAI SFN


2. CHR (non-polymer), 659.636 Da
Total weight
11755.6455 Da
Max. entity weight
11096.01 Da
Entity Connection
disulfide 2 Detail
IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS37:SG1:CYS47:SG
2disulfidesing1:CYS88:SG1:CYS93:SG

Source organism
Streptomyces carzinostaticus
Exptl. method
NMR
Refine. method
distance geometry, simulated annealing with random array initial structures
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 100.0 %, Completeness: 75.3 %, Completeness (bb): 76.4 % Detail
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Polymer type: polypeptide(L)

Total1H13C15N
All75.3 % (837 of 1111)95.3 % (524 of 550)44.7 % (198 of 443)97.5 % (115 of 118)
Backbone76.4 % (512 of 670)100.0 % (237 of 237)51.5 % (167 of 324)99.1 % (108 of 109)
Sidechain68.3 % (368 of 539)91.7 % (287 of 313)34.1 % (74 of 217)77.8 % (7 of 9)
Aromatic35.4 % (29 of 82)58.5 % (24 of 41)10.3 % (4 of 39)50.0 % (1 of 2)
Methyl70.3 % (97 of 138)100.0 % (69 of 69)40.6 % (28 of 69)

1. Neocarzinostatin

AAPTATVTPS SGLSDGTVVK VAGAGLQAGT AYDVGQCAWV DTGVLACNPA DFSSVTADAN GSASTSLTVR RSFEGFLFDG TRWGTVDCTT AACQVGLSDA AGNGPEGVAI SFN

Show sample condition
Sample

Pressure 1 atm, Temperature 303 (±0.05) K, pH 5.0 (±0.1)


#NameIsotope labelingTypeConcentration
1Neocarzinostatin[U-90% 15N; U-90% 13C]2.5 mM
2NEOCARZINOSTATIN-CHROMOPHORE[U-10% 13C]2.5 mM

Chem. Shift Complete2
Sequence coverage: 12.4 %, Completeness: 41.6 %, Completeness (bb): 43.1 % Detail
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Polymer type: polypeptide(L)

Total1H13C15N
All41.6 % (925 of 2222)51.5 % (567 of 1100)26.0 % (230 of 886)54.2 % (128 of 236)
Backbone43.1 % (577 of 1340)55.5 % (263 of 474)29.8 % (193 of 648)55.5 % (121 of 218)
Sidechain37.0 % (399 of 1078)48.6 % (304 of 626)20.3 % (88 of 434)38.9 % (7 of 18)
Aromatic17.7 % (29 of 164)29.3 % (24 of 82) 5.1 % (4 of 78)25.0 % (1 of 4)
Methyl40.9 % (113 of 276)56.5 % (78 of 138)25.4 % (35 of 138)

1. Neocarzinostatin

AAPTATVTPS SGLSDGTVVK VAGAGLQAGT AYDVGQCAWV DTGVLACNPA DFSSVTADAN GSASTSLTVR RSFEGFLFDG TRWGTVDCTT AACQVGLSDA AGNGPEGVAI SFN

Show sample condition
Sample

Pressure 1 atm, Temperature 303 (±0.05) K, pH 5.0 (±0.1)


#NameIsotope labelingTypeConcentration
1Neocarzinostatin[U-90% 15N; U-90% 13C]2.5 mM
2NEOCARZINOSTATIN-CHROMOPHORE[U-10% 13C]2.5 mM

LACS Plot; CA
Referencing offset: 1.16 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: 1.16 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: -0.26 ppm, Outliers: 4 Detail
Protein Blocks Logo
Calculated from 60 models in PDB: 1O5P, Strand ID: A Detail

Release date
2003-10-12
Citation
Solution NMR structure investigation for releasing mechanism of neocarzinostatin chromophore from the holoprotein
Takashima, H., Yoshida, T., Ishino, T., Hasuda, K., Ohkubo, T., Kobayashi, Y.
J. Biol. Chem. (2005), 280, 11340-11346, PubMed 15640161 , DOI 10.1074/jbc.M411579200 ,
Related entities 1. Neocarzinostatin, : 1 : 8 : 4 : 11 entities Detail
More details for 24 related entities
Experiments performed 4 experiments Detail
nullKeywords 7 STRANDED BETA BARREL, CROMOPROTEIN, PROTEIN-LIGAND COMPLEX