BMRBj - BMREntryMaster

Found 1 Document (1.451 seconds)

BMRB: 4813

1JYE

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: 73.8 %, Completeness: 62.7 %, Completeness (bb): 57.3 % Detail

Polymer type: polypeptide(L) polydeoxyribonucleotide

	Total	¹H	¹³C	¹⁵N
All	62.7 % (576 of 919)	56.9 % (329 of 578)	65.6 % (179 of 273)	100.0 % (68 of 68)
Backbone	57.3 % (299 of 522)	42.8 % (119 of 278)	65.2 % (120 of 184)	100.0 % (60 of 60)
Sidechain	72.4 % (331 of 457)	70.0 % (210 of 300)	75.8 % (113 of 149)	100.0 % (8 of 8)
Aromatic	22.5 % (18 of 80)	29.0 % (18 of 62)	0.0 % (0 of 18)
Methyl	90.7 % (78 of 86)	82.6 % (38 of 46)	100.0 % (40 of 40)

1. LAC REPRESSOR

MKPVTLYDVA EYAGVSYQTV SRVVNQASHV SAKTREKVEA AMAELNYIPN RVAQQLAGKQ SL

2. LAC OPERATOR

GAATTGTGAG CGCTCACAAT TC

Show sample condition

Sample

Temperature 315 (±1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	LAC REPRESSOR	[U-100% 13C; U-100% 15N]		1.5 mM
2	LAC OPERATOR			1.5 mM

Chem. Shift Complete2

Sequence coverage: 34.5 %, Completeness: 43.6 %, Completeness (bb): 42.6 % Detail

Polymer type: polypeptide(L) polydeoxyribonucleotide

	Total	¹H	¹³C	¹⁵N
All	43.6 % (801 of 1838)	45.0 % (520 of 1156)	37.7 % (206 of 546)	55.1 % (75 of 136)
Backbone	42.6 % (445 of 1044)	42.8 % (238 of 556)	38.0 % (140 of 368)	55.8 % (67 of 120)
Sidechain	45.5 % (416 of 914)	47.0 % (282 of 600)	42.3 % (126 of 298)	50.0 % (8 of 16)
Aromatic	37.5 % (60 of 160)	48.4 % (60 of 124)	0.0 % (0 of 36)
Methyl	54.7 % (94 of 172)	53.3 % (49 of 92)	56.3 % (45 of 80)

1. LAC REPRESSOR

MKPVTLYDVA EYAGVSYQTV SRVVNQASHV SAKTREKVEA AMAELNYIPN RVAQQLAGKQ SL

2. LAC OPERATOR

GAATTGTGAG CGCTCACAAT TC

Show sample condition

Sample

Temperature 315 (±1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	LAC REPRESSOR	[U-100% 13C; U-100% 15N]		1.5 mM
2	LAC OPERATOR			1.5 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	0.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.32 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	0.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.32 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	0.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

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: , Abstract

Related entities 1. LAC REPRESSOR, : 1 : 10 : 2 : 10 : 177 entities Detail

Experiments performed 15 experiments Detail

1 NOESY