BMRB Entry 27463

Name: Backbone chemical shift assignments for Holo form of Biliverdin reductase B
Published: 2018-09-18

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27463

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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 chemical shift assignments for Holo form of Biliverdin reductase B

Deposition date:

2018-04-23

Original release date:

2018-09-18

Authors:

Paukovich, Natasia; Eisenmesser, Elan

Citation:

Citation: Paukovich, Natasia; Xue, Mengjun; Elder, James; Redzic, Jasmina; Blue, Ashley; Pike, Hamish; Miller, Brian; Pitts, Todd; Pollock, David; Hansen, Kirk; D'Alessandro, Angelo; Eisenmesser, Elan Zohar. "Biliverdin Reductase B Dynamics Are Coupled to Coenzyme Binding." J. Mol. Biol. 430, 3234-3250 (2018).
PubMed: 29932944

Assembly members:

Assembly members:
BLVRB, polymer, 206 residues, Formula weight is not available
entity_NAP, non-polymer, 743.405 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BLVRB: MAVKKIAIFGATGQTGLTTL AQAVQAGYEVTVLVRDSSRL PSEGPRPAHVVVGDVLQAAD VDKTVAGQDAVIVLLGTRND LSPTTVMSEGARNIVAAMKA HGVDKVVACTSAFLLWDPTK VPPRLQAVTDDHIRMHKVLR ESGLKYVAVMPPHIGDQPLT GAYTVTLDGRGPSRVISKHD LGHFMLRCLTTDEYDGHSTY PSHQYQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	373
15N chemical shifts	180
1H chemical shifts	181

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BLVRB	1
2	NADP	2

Entities:

Entity 1, BLVRB 206 residues - Formula weight is not available

1

MET

ALA

VAL

LYS

ILE

ALA

ILE

PHE

GLY

2

ALA

THR

GLY

GLN

THR

GLY

LEU

THR

LEU

3

ALA

GLN

ALA

VAL

GLN

ALA

GLY

TYR

GLU

VAL

4

THR

VAL

LEU

VAL

ARG

ASP

SER

ARG

LEU

5

PRO

SER

GLU

GLY

PRO

ARG

PRO

ALA

HIS

VAL

6

VAL

GLY

ASP

VAL

LEU

GLN

ALA

ASP

7

VAL

ASP

LYS

THR

VAL

ALA

GLY

GLN

ASP

ALA

8

VAL

ILE

VAL

LEU

GLY

THR

ARG

ASN

ASP

9

LEU

SER

PRO

THR

VAL

MET

SER

GLU

GLY

10

ALA

ARG

ASN

ILE

VAL

ALA

MET

LYS

ALA

11

HIS

GLY

VAL

ASP

LYS

VAL

ALA

CYS

THR

12

SER

ALA

PHE

LEU

TRP

ASP

PRO

THR

LYS

13

VAL

PRO

ARG

LEU

GLN

ALA

VAL

THR

ASP

14

ASP

HIS

ILE

ARG

MET

HIS

LYS

VAL

LEU

ARG

15

GLU

SER

GLY

LEU

LYS

TYR

VAL

ALA

VAL

MET

16

PRO

HIS

ILE

GLY

ASP

GLN

PRO

LEU

THR

17

GLY

ALA

TYR

THR

VAL

THR

LEU

ASP

GLY

ARG

18

GLY

PRO

SER

ARG

VAL

ILE

SER

LYS

HIS

ASP

19

LEU

GLY

HIS

PHE

MET

LEU

ARG

CYS

LEU

THR

20

THR

ASP

GLU

TYR

ASP

GLY

HIS

SER

THR

TYR

21

PRO

SER

HIS

GLN

TYR

GLN

Entity 2, NADP - C21 H28 N7 O17 P3 - 743.405 Da.

1

NAP

Samples:

holo_1: BLVRB, [U-100% 13C; U-100% 15N; U-80% 2H], 500 uM; NADP 1 mM; Bis-Tris 50 mM; NaCl 50 mM; DTT 1 mM

holo_2: BLVRB, [U-100% 13C; U-100% 15N; U-80% 2H], 500 uM; NADP 1 mM; Bis-Tris 50 mM; NaCl 50 mM; DTT 1 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HN(CO)CA	holo_1	isotropic	sample_conditions_1
3D HNCA	holo_1	isotropic	sample_conditions_1
3D HNCACB	holo_1	isotropic	sample_conditions_1
3D HN(COCA)CB	holo_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	holo_1	isotropic	sample_conditions_1

Software:

CcpNMR, CCPN - chemical shift assignment

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 900 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks