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NMR structure of lac repressor HP62-DNA complex
Authors
Spronk, C.A.E.M., Bonvin, A.M.J.J., Radha, P.K., Melacini, G., Boelens, R., Kaptein, R.
Assembly
LAC REPRESSOR HP62/DNA COMPLEX
Entity
1. LAC REPRESSOR (polymer, Thiol state: not present), 62 monomers, 6810.676 × 2 Da Detail

MKPVTLYDVA EYAGVSYQTV SRVVNQASHV SAKTREKVEA AMAELNYIPN RVAQQLAGKQ SL


2. LAC OPERATOR (polymer, Thiol state: not present), 22 monomers, 6814.349 × 2 Da Detail

GAATTGTGAG CGCTCACAAT TC


Total weight
27250.05 Da
Max. entity weight
6814.349 Da
Source organism
Escherichia coli
Exptl. method
NMR
Refine. method
SIMULATED ANNEALING FOLLOWED BY RESTRAINED MD
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 71.4 %, Completeness: 62.0 %, Completeness (bb): 55.4 % Detail

Polymer type: polypeptide(L) polydeoxyribonucleotide

Total1H13C15N
All62.0 % (572 of 922)57.8 % (334 of 578)63.0 % (172 of 273)93.0 % (66 of 71)
Backbone55.4 % (288 of 520)42.4 % (117 of 276)61.4 % (113 of 184)96.7 % (58 of 60)
Sidechain72.9 % (337 of 462)71.9 % (217 of 302)75.2 % (112 of 149)72.7 % (8 of 11)
Aromatic22.5 % (18 of 80)29.0 % (18 of 62) 0.0 % (0 of 18)
Methyl93.0 % (80 of 86)87.0 % (40 of 46)100.0 % (40 of 40)

1. LAC REPRESSOR

MKPVTLYDVA EYAGVSYQTV SRVVNQASHV SAKTREKVEA AMAELNYIPN RVAQQLAGKQ SL

2. LAC OPERATOR

GAATTGTGAG CGCTCACAAT TC

Sample

Temperature 315 (±1) K, pH 6.1 (±0.1)


#NameIsotope labelingTypeConcentration
1LAC REPRESSOR[U-100% 13C; U-100% 15N]1.5 mM
2LAC OPERATOR1.5 mM

Chem. Shift Complete2
Sequence coverage: 32.1 %, Completeness: 41.4 %, Completeness (bb): 39.8 % Detail

Polymer type: polypeptide(L) polydeoxyribonucleotide

Total1H13C15N
All41.4 % (764 of 1844)44.1 % (510 of 1156)33.7 % (184 of 546)49.3 % (70 of 142)
Backbone39.8 % (414 of 1040)41.7 % (230 of 552)33.2 % (122 of 368)51.7 % (62 of 120)
Sidechain43.9 % (406 of 924)46.4 % (280 of 604)39.6 % (118 of 298)36.4 % (8 of 22)
Aromatic37.5 % (60 of 160)48.4 % (60 of 124) 0.0 % (0 of 36)
Methyl52.9 % (91 of 172)53.3 % (49 of 92)52.5 % (42 of 80)

1. LAC REPRESSOR

MKPVTLYDVA EYAGVSYQTV SRVVNQASHV SAKTREKVEA AMAELNYIPN RVAQQLAGKQ SL

2. LAC OPERATOR

GAATTGTGAG CGCTCACAAT TC

Sample

Temperature 315 (±1) K, pH 6.1 (±0.1)


#NameIsotope labelingTypeConcentration
1LAC REPRESSOR[U-100% 13C; U-100% 15N]1.5 mM
2LAC OPERATOR1.5 mM

LACS Plot; CA
Referencing offset: -0.32 ppm, Outliers: 3 Detail
LACS Plot; CB
Referencing offset: -0.32 ppm, Outliers: 3 Detail
LACS Plot; HA
Referencing offset: 0.08 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 11 models in PDB: 1CJG, Strand ID: A, B Detail


Release date
2000-11-12
Citation
The solution structure of Lac repressor headpiece 62 complexed to a symmetrical lac operator
Spronk, C.A.E.M., Bonvin, A.M.J.J., Radha, P.K., Melacini, G., Boelens, R., Kaptein, R.
Structure (1999), 7, 1483-1492, PubMed 10647179 , DOI 10.1016/s0969-2126(00)88339-2 ,
Related entities 1. LAC REPRESSOR, : 1 : 9 : 2 : 10 : 144 entities Detail
Keywords TRANSCRIPTION REGULATION, LAC OPERON, LAC REPRESSOR, HEADPIECE, LAC OPERATOR