BMRB Entry 6726

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PDB ID: 1zxf
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6726
MolProbity Validation Chart

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

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Title:

Solution structure of self-sacrificing resistance protein CalC from Micromonospora echinospora

Deposition date:

2005-07-08

Original release date:

2006-09-06

Authors:

Singh, Shanteri; Thorson, Jon; Hager, Martin; Hallenga, Klaas; Markley, John

Citation:

Citation: Singh, Shanteri; Hager, Martin; Zhang, Changsheng; Griffith, Bryon; Lee, Min; Hallenga, Klaas; Markley, John; Thorson, Jon. "Structural Insight into the Self-Sacrifice Mechanism of Enediyne Resistance" Chem. Biol. 1, 451-460 (2006).

Assembly members:

Assembly members:
CalC, polymer, 155 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Micromonospora echinospora Taxonomy ID: 1877 Superkingdom: Eubacteria Kingdom: not available Genus/species: Micromonospora echinospora

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CalC: NYDPFVRHSVTVKADRKTAF KTFLEGFPEWWPNNFRTTKV GAPLGVDKKGGRWYEIDEQG EEHTFGLIRKVDEPDTLVIG WRLNGFGRIDPDNSSEFTVT FVADGQKKTRVDVEHTHFDR MGTKHAKRVRNGMDKGWPTI LQSFQDKIDEEGAKK

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
13C chemical shifts	596
15N chemical shifts	156
1H chemical shifts	937

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	self-sacrificing resistance protein	1

Entities:

Entity 1, self-sacrificing resistance protein 155 residues - Formula weight is not available

1

ASN

TYR

ASP

PRO

PHE

VAL

ARG

HIS

SER

VAL

2

THR

VAL

LYS

ALA

ASP

ARG

LYS

THR

ALA

PHE

3

LYS

THR

PHE

LEU

GLU

GLY

PHE

PRO

GLU

TRP

4

TRP

PRO

ASN

PHE

ARG

THR

LYS

VAL

5

GLY

ALA

PRO

LEU

GLY

VAL

ASP

LYS

GLY

6

GLY

ARG

TRP

TYR

GLU

ILE

ASP

GLU

GLN

GLY

7

GLU

HIS

THR

PHE

GLY

LEU

ILE

ARG

LYS

8

VAL

ASP

GLU

PRO

ASP

THR

LEU

VAL

ILE

GLY

9

TRP

ARG

LEU

ASN

GLY

PHE

GLY

ARG

ILE

ASP

10

PRO

ASP

ASN

SER

GLU

PHE

THR

VAL

THR

11

PHE

VAL

ALA

ASP

GLY

GLN

LYS

THR

ARG

12

VAL

ASP

VAL

GLU

HIS

THR

HIS

PHE

ASP

ARG

13

MET

GLY

THR

LYS

HIS

ALA

LYS

ARG

VAL

ARG

14

ASN

GLY

MET

ASP

LYS

GLY

TRP

PRO

THR

ILE

15

LEU

GLN

SER

PHE

GLN

ASP

LYS

ILE

ASP

GLU

16

GLU

GLY

ALA

LYS

Samples:

sample_1: CalC, [U-95% 13C; U-90% 15N], 0.8 ± 0.1 mM; NaPO4 10 mM; NaCl 150 mM

conditions_1: ionic strength: 0.150 M; pH: 7.3; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H-15N HSQC	not available	not available	not available
1H-13C HSQC	not available	not available	not available
HNCO	not available	not available	not available
HNCACB	not available	not available	not available
CBCA(CO)NH	not available	not available	not available
HBHA(CO)NH	not available	not available	not available
H(CCO)NH	not available	not available	not available
C(CO)NH	not available	not available	not available
H(C)CH TOCSY	not available	not available	not available
(H)CCH TOCSY	not available	not available	not available
NOESY	not available	not available	not available

Software:

No software information available

NMR spectrometers:

Varian UNITY-INOVA 600 MHz
Varian UNITY-INOVA 800 MHz
Varian UNITY-INOVA 900 MHz

PDB	1ZXF 2GKD 2L65
GB	AAM70338