BMRB Entry 27838

Name: Backbone 1H, 13C and 15N chemical shift assignment of the cyclase IdmH from the indanomycin NRPS/PKS from Streptomyces antibioticus
Published: 2021-07-21

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27838

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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:

Backbone 1H, 13C and 15N chemical shift assignment of the cyclase IdmH from the indanomycin NRPS/PKS from Streptomyces antibioticus

Deposition date:

2019-03-19

Original release date:

2021-07-21

Authors:

Kalverda, Arnout; Drulyte, Ieva; Berry, Alan

Citation:

Citation: Drulyte, Ieva; Obajdin, Jana; Trinh, Chi; Kalverda, Arnout; van der Kamp, Marc; Hemsworth, Glyn; Berry, Alan. "Crystal structure of the putative cyclase IdmH from the indanomycin nonribosomal peptide synthase/polyketide synthase" IUCrJ 6, 1120-1133 (2019).
PubMed: 31709067

Assembly members:

Assembly members:
IdmH, polymer, 164 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Streptomyces antibioticus Taxonomy ID: 1890 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomyces antibioticus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28(a)+

Entity Sequences (FASTA):

Entity Sequences (FASTA):
IdmH: GSSHHHHHHSSGLVPRGSHM AHQPSDTIAGLYEAFNSGDL ETLRELIAPDAVIHLPGTAG DAEHPPGTPRDREGWLGVWQ FTQAFFPDMTATVQDIVQTG DLVATRCVARGTHSIEFMGV PPTGRPFEMTMLNMSRVRDG RIVEHWTISDNVTMLAQLGV KASL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	408
15N chemical shifts	125
1H chemical shifts	125

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	IdmH 1	1
2	IdmH 2	1

Entities:

Entity 1, IdmH 1 164 residues - Formula weight is not available

Residues 1-19 are a his tag

1

GLY

SER

HIS

SER

2

SER

GLY

LEU

VAL

PRO

ARG

GLY

SER

HIS

MET

3

ALA

HIS

GLN

PRO

SER

ASP

THR

ILE

ALA

GLY

4

LEU

TYR

GLU

ALA

PHE

ASN

SER

GLY

ASP

LEU

5

GLU

THR

LEU

ARG

GLU

LEU

ILE

ALA

PRO

ASP

6

ALA

VAL

ILE

HIS

LEU

PRO

GLY

THR

ALA

GLY

7

ASP

ALA

GLU

HIS

PRO

GLY

THR

PRO

ARG

8

ASP

ARG

GLU

GLY

TRP

LEU

GLY

VAL

TRP

GLN

9

PHE

THR

GLN

ALA

PHE

PRO

ASP

MET

THR

10

ALA

THR

VAL

GLN

ASP

ILE

VAL

GLN

THR

GLY

11

ASP

LEU

VAL

ALA

THR

ARG

CYS

VAL

ALA

ARG

12

GLY

THR

HIS

SER

ILE

GLU

PHE

MET

GLY

VAL

13

PRO

THR

GLY

ARG

PRO

PHE

GLU

MET

THR

14

MET

LEU

ASN

MET

SER

ARG

VAL

ARG

ASP

GLY

15

ARG

ILE

VAL

GLU

HIS

TRP

THR

ILE

SER

ASP

16

ASN

VAL

THR

MET

LEU

ALA

GLN

LEU

GLY

VAL

17

LYS

ALA

SER

LEU

Samples:

sample_1: IdmH, [U-13C; U-15N; U-2H], 0.8 mM; TRIS pH 7.3 20 mM; sodium chloride 50 mM; DTT 1 mM; sodium azide 0.02% w/v

sample_conditions_1: ionic strength: 70 mM; pH: 7.3; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CB	sample_1	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.2 and 3.5pl6, Bruker Biospin - collection

NMRPipe v8.9, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

MDDNMR v2.2, (MDDNMR) Orekhov, Jaravine, Mayzel and Kazimierczuk - processing

CcpNmr_analysis v2.4.2, CCPN - chemical shift assignment

NMR spectrometers:

Bruker Avance III HD 750 MHz
Bruker Avance III HD 950 MHz