BMRB Entry 5345

Name: Assignment of lac repressor headpiece complexed of its natural operator
Published: 2002-06-07

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PDB ID: 1l1m
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5345
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Assignment of lac repressor headpiece complexed of its natural operator

Deposition date:

2002-04-19

Original release date:

2002-06-07

Authors:

Kalodimos, C.; Bonvin, A.; Salinas, R.; Wechselberger, R.; Boelens, R.; Kaptein, R.

Citation:

Citation: Kalodimos, Charalampos; Bonvin, A.; Salinas, R.; Wechselberger, R.; Boelens, R.; Kaptein, R.. "PLASTICITY IN PROTEIN-DNA RECOGNITION: LAC REPRESSOR INTERACTS WITH ITS NATURAL OPERATOR THROUGH ALTERNATIVE CONFORMATIONS OF ITS DNA-BINDING DOMAIN" EMBO J. 21, 2866-2876 (2002).
PubMed: 12065400

Assembly members:

Assembly members:
lactose repressor-operator, polymer, 62 residues, 7000 Da.
lactose repressor-operator DNA, polymer, 23 residues, Formula weight is not available
lactose repressor-operator DNA, polymer, 23 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
lactose repressor-operator: MKPVTLYDVAEYAGVSYQTV SRVVNQASHVSAKTREKVEA AMAELNYIPNRCAQQLAGKQ SL
lactose repressor-operator DNA: GAATTGTGAGCGGATAACAA TTT
lactose repressor-operator DNA: AAATTGTTATCCGCTCACAA TTC

Data sets:

assigned_chemical_shifts

Data type	Count
13C chemical shifts	458
1H chemical shifts	1207
15N chemical shifts	138

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Lactose operon repressor, chain A	1
2	Lactose operon repressor, chain B	1
3	LAC-DNA, chain A	2
4	LAC-DNA, chain B	3

Entities:

Entity 1, Lactose operon repressor, chain A 62 residues - 7000 Da.

1

MET

LYS

PRO

VAL

THR

LEU

TYR

ASP

VAL

ALA

2

GLU

TYR

ALA

GLY

VAL

SER

TYR

GLN

THR

VAL

3

SER

ARG

VAL

ASN

GLN

ALA

SER

HIS

VAL

4

SER

ALA

LYS

THR

ARG

GLU

LYS

VAL

GLU

ALA

5

ALA

MET

ALA

GLU

LEU

ASN

TYR

ILE

PRO

ASN

6

ARG

CYS

ALA

GLN

LEU

ALA

GLY

LYS

GLN

7

SER

LEU

Entity 2, LAC-DNA, chain A 23 residues - Formula weight is not available

1

DG

DA

DT

DG

DT

DG

DA

DG

2

DC

DG

DA

DT

DA

DC

DA

3

DT

Entity 3, LAC-DNA, chain B 23 residues - Formula weight is not available

1

DA

DT

DG

DT

DA

DT

2

DC

DG

DC

DT

DC

DA

DC

DA

3

DT

DC

Samples:

sample_1: lactose repressor-operator, [U-15N; U-13C], 4 mM; lactose repressor-operator DNA 2 mM; lactose repressor-operator DNA 2 mM; KPi 10 mM; KCl 20 mM; D2O 10%; H2O 90%

sample_cond_1: pH: 6.0 na; temperature: 315 K; ionic strength: 30 mM; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
3D 13C-separated NOESY	sample_1	not available	sample_cond_1
3D 15N-separated NOESY	sample_1	not available	sample_cond_1
2D NOESY	sample_1	not available	sample_cond_1

Software:

XWINNMR v3.1 - collection

NMRPipe v1.0 - processing

NMRView v5.0.4 - data analysis

CNS v1.1 - structure solution, refinement

NMR spectrometers:

Bruker DRX 600 MHz
Bruker DRX 750 MHz

BMRB	1066 127 1494 1552 32 4813 5791 661 736 848 849 96
PDB	1CJG 1EFA 1JWL 1JYE 1JYF 1L1M 1LBG 1LBH 1LBI 1LCC 1LCD 1LQC 1OSL 2KEI 2KEJ 2KEK 3EDC
DBJ	BAB20667 BAB33821 BAD00175 BAD20286 BAD20288
EMBL	CAA07594 CAA07597 CAA11118 CAA11119 CAA11120
GB	AAA24052 AAA56744 AAA56768 AAA57088 AAA57091
REF	NP_286086 NP_414879 WP_000718174 WP_000805876 WP_000805884
SP	P03023
AlphaFold	P03023