BMRB Entry 15326

Name: Backbone 13C, HN and 15N assignments for human chemerin
Published: 2007-09-17

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15326

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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 13C, HN and 15N assignments for human chemerin

Deposition date:

2007-06-22

Original release date:

2007-09-17

Authors:

Allen, Samantha; Handel, Tracy; Zabel, Brian; Nietlispach, Daniel; Butcher, Eugene; Kirkpatrick, John

Citation:

Citation: Allen, Samantha; Zabel, Brian; Kirkpatrick, John; Butcher, Eugene; Nietlispach, Daniel; Handel, Tracy. "NMR assignment of human chemerin, a novel chemoattractant" Biomol. NMR Assignments 1, 171-173 (2007).
PubMed: 19636857

Assembly members:

Assembly members:
Chemerin, polymer, 145 residues, 16962 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: pET21a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Chemerin: MELTEAQRRGLQVALEEFHK HPPVQWAFQETSVESAVDTP FPAGIFVRLEFKLQQTSCRK RDWKKPECKVRPNGRKRKCL ACIKLGSEDKVLGRLVHCPI ETQVLREAEEHQETQCLRVQ RAGEDPHSFYFPGQFAPHHH HHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	498
15N chemical shifts	122
1H chemical shifts	122

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	chemerin	1

Entities:

Entity 1, chemerin 145 residues - 16962 Da.

Residue 1 is a non-native initiator met. The last 9 residues are also non-native (a proline and His8 tag).

1

MET

GLU

LEU

THR

GLU

ALA

GLN

ARG

GLY

2

LEU

GLN

VAL

ALA

LEU

GLU

PHE

HIS

LYS

3

HIS

PRO

VAL

GLN

TRP

ALA

PHE

GLN

GLU

4

THR

SER

VAL

GLU

SER

ALA

VAL

ASP

THR

PRO

5

PHE

PRO

ALA

GLY

ILE

PHE

VAL

ARG

LEU

GLU

6

PHE

LYS

LEU

GLN

THR

SER

CYS

ARG

LYS

7

ARG

ASP

TRP

LYS

PRO

GLU

CYS

LYS

VAL

8

ARG

PRO

ASN

GLY

ARG

LYS

ARG

LYS

CYS

LEU

9

ALA

CYS

ILE

LYS

LEU

GLY

SER

GLU

ASP

LYS

10

VAL

LEU

GLY

ARG

LEU

VAL

HIS

CYS

PRO

ILE

11

GLU

THR

GLN

VAL

LEU

ARG

GLU

ALA

GLU

12

HIS

GLN

GLU

THR

GLN

CYS

LEU

ARG

VAL

GLN

13

ARG

ALA

GLY

GLU

ASP

PRO

HIS

SER

PHE

TYR

14

PHE

PRO

GLY

GLN

PHE

ALA

PRO

HIS

15

HIS

Samples:

13C_15N_chemerin: Chemerin, [U-98% 13C; U-98% 15N], 0.8 – 1.5 mM; acetic acid, [U-2H], 10 mM; EDTA, [U-2H], 0.1 mM

15N_chemerin: Chemerin, [U-98% 15N], 0.8 mM; EDTA, [U-2H], 0.1 mM; acetic acid, [U-2H], 10 mM

sample_conditions_1: pH: 5.49; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	15N_chemerin	isotropic	sample_conditions_1
3D CBCA(CO)NH	13C_15N_chemerin	isotropic	sample_conditions_1
3D C(CO)NH	13C_15N_chemerin	isotropic	sample_conditions_1
3D HNCO	13C_15N_chemerin	isotropic	sample_conditions_1
CBCANH	13C_15N_chemerin	isotropic	sample_conditions_1

Software:

AZARA v2.7, Boucher - processing

Analysis v1.0.14, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

Bruker DRX 600 MHz

DBJ	BAA76499 BAG35130
EMBL	CAG46789 CAG46823 CAH93115
GB	AAB47975 AAH00069 AAS00384 AAX36662 AAX37088
REF	NP_001127631 NP_002880 XP_001134678 XP_003815095 XP_004046507
SP	Q5R551 Q99969
AlphaFold	Q99969 Q5R551