BMRB Entry 51599

Name: hCEACAM1-Ig1-LBP4 Ala and Val methyl chemical shifts
Published: 2022-09-30

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51599

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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:

hCEACAM1-Ig1-LBP4 Ala and Val methyl chemical shifts

Deposition date:

2022-08-28

Original release date:

2022-09-30

Authors:

Williams, Robert; Rogals, Monique; Eletsky, Alexander; Huang, Chin; Morris, Laura; Moremen, Kelley; Prestegard, James

Citation:

Citation: Williams, Robert; Rogals, Monique; Eletsky, Alexander; Huang, Chin; Morris, Laura; Moremen, Kelley; Prestegard, James. "AssignSLP_GUI, a software tool exploiting AI for NMR resonance assignment of sparsely labeled proteins" J. Mag. Res. 345, 107336-107336 (2022).
PubMed: 36442299

Assembly members:

Assembly members:
entity_1, polymer, 124 residues, Formula weight is not available
entity_LU, non-polymer, 174.967 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: HEK293 Vector: pGEn2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSGGAQLTTESMPFNVAEGK EVLLLVHNLPQQLFGYSWYK GERVDGNRQIVGYACADTNN DGAYEGDELCQATPGPANSG RETIYPNASLLIQNVTQNDT GFYTLQVIKSDLVNEEATGQ FHVY

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	27
1H chemical shifts	81

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	hCEACAM1-Ig1-LBP4	1
2	Lu3+	2

Entities:

Entity 1, hCEACAM1-Ig1-LBP4 124 residues - Formula weight is not available

1

GLY

SER

GLY

ALA

GLN

LEU

THR

GLU

2

SER

MET

PRO

PHE

ASN

VAL

ALA

GLU

GLY

LYS

3

GLU

VAL

LEU

VAL

HIS

ASN

LEU

PRO

4

GLN

LEU

PHE

GLY

TYR

SER

TRP

TYR

LYS

5

GLY

GLU

ARG

VAL

ASP

GLY

ASN

ARG

GLN

ILE

6

VAL

GLY

TYR

ALA

CYS

ALA

ASP

THR

ASN

7

ASP

GLY

ALA

TYR

GLU

GLY

ASP

GLU

LEU

CYS

8

GLN

ALA

THR

PRO

GLY

PRO

ALA

ASN

SER

GLY

9

ARG

GLU

THR

ILE

TYR

PRO

ASN

ALA

SER

LEU

10

LEU

ILE

GLN

ASN

VAL

THR

GLN

ASN

ASP

THR

11

GLY

PHE

TYR

THR

LEU

GLN

VAL

ILE

LYS

SER

12

ASP

LEU

VAL

ASN

GLU

ALA

THR

GLY

GLN

13

PHE

HIS

VAL

TYR

Entity 2, Lu3+ - Lu - 174.967 Da.

1

LU

Samples:

sample_1: hCEACAM1-Ig1-LBP4, [CG1-Val, CG2-Val 90% 13C; CB-Ala 45% 13C], 300 uM; Luticium 300 uM; TRIS 25 mM; NaCl 100 mM; NaN3 0.02%; DSS 10 uM

sample_conditions_1: ionic strength: 125 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 13C-1H HSQC (13C-deteected)	sample_1	isotropic	sample_conditions_1

Software:

ASSIGN_SLP_GUI v2.4.7 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 900 MHz