BMRB Entry 53402

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53402

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Title:
Resonance Assignments for 13C-Ala/Val-Methyl Labeled glycosylated CEACAM1-Ig1
Deposition date:
2025-10-22
Original release date:
2025-12-20
Authors:
Eletsky, Alexander; Huang, Chin; Miao, Yinglong; Moremen, Kelley; Morris, Laura; Prestegard, James
Citation:

Citation: Eletsky, Alexander; Huang, Chin; Miao, Yinglong; Moremen, Kelley; Morris, Laura; Prestegard, James. "Conformational Preferences for N-glycans at the Surface of CEACAM1-Ig1"  ACS ChemBio ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 124 residues, 13492.81 Da.
entity_2, polymer, 7 residues, 1235.1 Da.
entity_3, polymer, 7 residues, 1235.1 Da.
entity_4, polymer, 7 residues, 1235.1 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: Homo sapiens   Vector: pGEn2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSGGAQLTTESMPFNVAEGK EVLLLVHNLPQQLFGYSWYK GERVDGNRQIVGYACADTNN DGAYEGDELCQATPGPANSG RETIYPNASLLIQNVTQNDT GFYTLQVIKSDLVNEEATGQ FHVY
entity_2: XXXXXXX
entity_3: XXXXXXX
entity_4: XXXXXXX

Data sets:
Data typeCount
13C chemical shifts39
1H chemical shifts93

Time Domain Data

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1CEACAM1_protein1
2M5_glycan_N1042
3M5_glycan_N1113
4M5_glycan_N1144

Entities:

Entity 1, CEACAM1_protein 124 residues - 13492.81 Da.

Residues 1-4 represent the scar segment of a non-native affinity tag. Residues 55-70 (CADTNNDGAYEGDELC) constitute a non-native lanthanide-binding loop, that replaces residues 84-87 (IGTQ) in the original sequence.

1   GLYSERGLYGLYALAGLNLEUTHRTHRGLU
2   SERMETPROPHEASNVALALAGLUGLYLYS
3   GLUVALLEULEULEUVALHISASNLEUPRO
4   GLNGLNLEUPHEGLYTYRSERTRPTYRLYS
5   GLYGLUARGVALASPGLYASNARGGLNILE
6   VALGLYTYRALACYSALAASPTHRASNASN
7   ASPGLYALATYRGLUGLYASPGLULEUCYS
8   GLNALATHRPROGLYPROALAASNSERGLY
9   ARGGLUTHRILETYRPROASNALASERLEU
10   LEUILEGLNASNVALTHRGLNASNASPTHR
11   GLYPHETYRTHRLEUGLNVALILELYSSER
12   ASPLEUVALASNGLUGLUALATHRGLYGLN
13   PHEHISVALTYR

Entity 2, M5_glycan_N104 7 residues - 1235.1 Da.

1   NAGNAGBMAMANMANMANMAN

Entity 3, M5_glycan_N111 7 residues - 1235.1 Da.

1   NAGNAGBMAMANMANMANMAN

Entity 4, M5_glycan_N114 7 residues - 1235.1 Da.

1   NAGNAGBMAMANMANMANMAN

Samples:

sample_1: CEACAM1-Ig1, [U-100% 13CG-Val; U-50% 13CB-Ala; U-50% 13C1-NAG,MAN; U-50% 13C8-NAG], 300 uM; LuCl3 300 uM; TRIS 25 mM; sodium chloride 100 mM; DSS 10 uM; sodium azide 0.02%

sample_2: CEACAM1-Ig1, [U-100% 13CG-Val; U-50% 13CB-Ala; U-50% 13C1-NAG,MAN; U-50% 13C8-NAG], 300 uM; TRIS 25 mM; sodium chloride 100 mM; DSS 10 uM; sodium azide 0.02%; TmCl3 300 uM

sample_3: CEACAM1-Ig1, [U-100% 13CG-Val; U-50% 13CB-Ala; U-50% 13C1-NAG,MAN; U-50% 13C8-NAG], 300 uM; TRIS 25 mM; sodium chloride 100 mM; DSS 10 uM; sodium azide 0.02%; TbCl3 300 uM

sample_conditions_1: ionic strength: 100 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 13C SCT-HETCORsample_1isotropicsample_conditions_1
3D J-mod 13C CT-HETCORsample_1isotropicsample_conditions_1
2D 13C SCT-HETCORsample_2isotropicsample_conditions_1
3D J-mod 13C CT-HETCORsample_2isotropicsample_conditions_1
2D 13C SCT-HETCORsample_3isotropicsample_conditions_1
3D J-mod 13C CT-HETCORsample_3isotropicsample_conditions_1

Software:

AssignSLP v2.8 - chemical shift assignment

TOPSPIN v4.2.0 - collection

NMRPipe - processing

NMRViewJ - data analysis

MATLAB - data analysis

NMR spectrometers:

  • Bruker AVANCE NEO 900 MHz

Related Database Links:

UNP P13688