BMRB Entry 6888

Name: 1H, 15N Assignment of Neocarzinostatin Apo-Protein complexed with Flavone
Published: 2007-02-06

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PDB ID: 2g0k
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6888
MolProbity Validation Chart

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3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

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

Deposition date:

2005-11-07

Original release date:

2007-02-06

Authors:

Muskett, Frederick; Stoneman, Rhys; Caddick, Stephen; Woolfson, Derek

Citation:

Citation: Caddick, Stephen; Muskett, Frederick; Stoneman, Rhys; Woolfson, Derek. "Synthetic ligands for apo-neocarzinostatin" J. Am. Chem. Soc. 128, 4204-4205 (2006).
PubMed: 16568976

Assembly members:

Assembly members:
Neocarzinostatin, polymer, 122 residues, 12213 Da.
Flavone, non-polymer, 222.239 Da.

Natural source:

Natural source: Common Name: Streptomyces carzinostaticus Taxonomy ID: 1897 Superkingdom: Eubacteria Kingdom: Not applicable Genus/species: Streptomyces carzinostaticus

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Neocarzinostatin: HHHHHHLQGAAPTATVTPSS GLSDGTVVKVAGAGLQAGTA YDVGQCAWVDTGVLACNPAD FSSVTADANGSASTSLTVRR SFEGFLFDGTRWGTVDCTTA ACQVGLSDAAGNGPEGVAIS FN

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
15N chemical shifts	117
1H chemical shifts	621

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Neocarzinostatin apo-protein	1
2	Flavone	2

Entities:

Entity 1, Neocarzinostatin apo-protein 122 residues - 12213 Da.

1

HIS

LEU

GLN

GLY

ALA

2

ALA

PRO

THR

ALA

THR

VAL

THR

PRO

SER

3

GLY

LEU

SER

ASP

GLY

THR

VAL

LYS

VAL

4

ALA

GLY

ALA

GLY

LEU

GLN

ALA

GLY

THR

ALA

5

TYR

ASP

VAL

GLY

GLN

CYS

ALA

TRP

VAL

ASP

6

THR

GLY

VAL

LEU

ALA

CYS

ASN

PRO

ALA

ASP

7

PHE

SER

VAL

THR

ALA

ASP

ALA

ASN

GLY

8

SER

ALA

SER

THR

SER

LEU

THR

VAL

ARG

9

SER

PHE

GLU

GLY

PHE

LEU

PHE

ASP

GLY

THR

10

ARG

TRP

GLY

THR

VAL

ASP

CYS

THR

ALA

11

ALA

CYS

GLN

VAL

GLY

LEU

SER

ASP

ALA

12

GLY

ASN

GLY

PRO

GLU

GLY

VAL

ALA

ILE

SER

13

PHE

ASN

Entity 2, Flavone - C15 H10 O2 - 222.239 Da.

1

FLVN

Samples:

sample_1: Neocarzinostatin, [U-13C; U-15N], 1 mM; Flavone 1 mM; phosphate buffer 25 mM; sodium azide 0.005 % w/w

conditions_1: ionic strength: 50 mM; pH: 5.0; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H15N_HSQC	sample_1	not available	conditions_1
1H1H15N_TOCSYHSQC	sample_1	not available	conditions_1
1H1H15N_NOESYHSQC	sample_1	not available	conditions_1
1H1H_TOCSY	sample_1	not available	conditions_1
1H1H_NOESY	sample_1	not available	conditions_1
1H1H15N_HNHA	sample_1	not available	conditions_1
1H1H15N_HNHB	sample_1	not available	conditions_1

Software:

NMRPipe - processing

CYANA - refinement

SPARKY - assignment

HADDOCK v1.2 -

NMR spectrometers:

Varian Inova 600 MHz
Varian UnityPlus 500 MHz

BMRB	1766 5343 5344 5969 695
PDB	1J5H 1J5I 1NCO 1NOA 1O5P 2G0K 2G0L
DBJ	BAA01764 BAB83894
GB	AAB28103 AAM77994
SP	P0A3R9 P0A3S0
AlphaFold	P0A3R9 P0A3S0 P0A3R9 P0A3S0