BMRB Entry 5081

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5081

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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:

1H, 15N and 13C resonance assignments for the Gallium protoporphyrin IX-HasAsm hemophore complex

Deposition date:

2001-07-16

Original release date:

2001-11-07

Authors:

Deniau, Clarisse; Couprie, Joel; Simenel, Catherine; Kumar, Vera; Stojiljkovic, Igor; Wandersman, Cecile; Delepierre, Muriel; Lecroisey, Anne

Citation:

Citation: Deniau, Clarisse; Couprie, Joel; Simenel, Catherine; Kumar, Vera; Stojiljkovic, Igor; Wandersman, Cecile; Delepierre, Muriel; Lecroisey, Anne. "Letter to the Editor: 1H, 15N and 13C resonance assignments for the Gallium protoporphyrin IX-HasAsm hemophore complex" J. Biomol. NMR 21, 189-190 (2001).

Assembly members:

Assembly members:
HasAsm, polymer, 178 residues, 18915 Da.
GIX, non-polymer, 630.365 Da.

Natural source:

Natural source: Common Name: Serratia marcescens Taxonomy ID: 615 Superkingdom: Eubacteria Kingdom: not available Genus/species: Serratia marcescens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pSYC34

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HasAsm: AFSVNYDSSFGGYSIHDYLG QWASTFGDVNHTNGNVTDAN SGGFYGGSLSGSQYAISSTA NQVTAFVAGGNLTYTLFNEP AHTLYGQLDSLSFGDGLSGG DTSPYSIQVPDVSFGGLNLS SLQAQGHDGVVHQVVYGLMS GDTGALETALNGILDDYGLS VNSTFDQVAAATAVGVQH

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
1H chemical shifts	375
13C chemical shifts	504
15N chemical shifts	173

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	GaPPIX	2
2	HasAsm	1

Entities:

Entity 2, GaPPIX - C34 H32 Ga N4 O4 - 630.365 Da.

1

GIX

Entity 1, HasAsm 178 residues - 18915 Da.

1

ALA

PHE

SER

VAL

ASN

TYR

ASP

SER

PHE

2

GLY

TYR

SER

ILE

HIS

ASP

TYR

LEU

GLY

3

GLN

TRP

ALA

SER

THR

PHE

GLY

ASP

VAL

ASN

4

HIS

THR

ASN

GLY

ASN

VAL

THR

ASP

ALA

ASN

5

SER

GLY

PHE

TYR

GLY

SER

LEU

SER

6

GLY

SER

GLN

TYR

ALA

ILE

SER

THR

ALA

7

ASN

GLN

VAL

THR

ALA

PHE

VAL

ALA

GLY

8

ASN

LEU

THR

TYR

THR

LEU

PHE

ASN

GLU

PRO

9

ALA

HIS

THR

LEU

TYR

GLY

GLN

LEU

ASP

SER

10

LEU

SER

PHE

GLY

ASP

GLY

LEU

SER

GLY

11

ASP

THR

SER

PRO

TYR

SER

ILE

GLN

VAL

PRO

12

ASP

VAL

SER

PHE

GLY

LEU

ASN

LEU

SER

13

SER

LEU

GLN

ALA

GLN

GLY

HIS

ASP

GLY

VAL

14

VAL

HIS

GLN

VAL

TYR

GLY

LEU

MET

SER

15

GLY

ASP

THR

GLY

ALA

LEU

GLU

THR

ALA

LEU

16

ASN

GLY

ILE

LEU

ASP

TYR

GLY

LEU

SER

17

VAL

ASN

SER

THR

PHE

ASP

GLN

VAL

ALA

18

ALA

THR

ALA

VAL

GLY

VAL

GLN

HIS

Samples:

sample_1: HasAsm, [U-95% 13C; U-95% 15N], 2.0 mM; protoporphyrin IX containing Gallium 2.0 mM; Na2HPO4 20 mM; NaH2PO4 20 mM

Ex-cond: pH: 5.6; temperature: 303 K; ionic strength: 0.02 M

Experiments:

Name	Sample	Sample state	Sample conditions
1H-15N HSQC	sample_1	not available	Ex-cond
HNCO	sample_1	not available	Ex-cond
HNCACB	sample_1	not available	Ex-cond
CBCA(CO)NH	sample_1	not available	Ex-cond

Software:

NMRpipe - processing

XEASY v1.2 - analysis

NMR spectrometers:

Varian Unity 500 MHz

SWISS-PROT	Q54450
EMBL	CAA57068
PDB	2UYD 2CN4 1YBJ 1DKH 1DK0 1B2V
BMRB	4309