BMRB Entry 31167

Name: Structure of the human CD33 transmembrane domain
Published: 2025-03-20

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PDB ID: 9bet
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31167
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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:

Structure of the human CD33 transmembrane domain

Deposition date:

2024-04-16

Original release date:

2025-03-20

Authors:

Ulmer, T.; Vu, H.

Citation:

Citation: Vu, H.; Situ, A.; Qian, M.; Ulmer, T.. "Molecular basis of human CD33 function and implications for the Siglec family" .

Assembly members:

Assembly members:
entity_1, polymer, 42 residues, 4384.272 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 'BL21-Gold(DE3)pLysS AG'

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GQETRAGVVHGAIGGAGVTA LLALCLCLIFFIVKTHRRKA AR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	118
15N chemical shifts	41
1H chemical shifts	41

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 42 residues - 4384.272 Da.

1

GLY

GLN

GLU

THR

ARG

ALA

GLY

VAL

HIS

2

GLY

ALA

ILE

GLY

ALA

GLY

VAL

THR

ALA

3

LEU

ALA

LEU

CYS

LEU

CYS

LEU

ILE

PHE

4

PHE

ILE

VAL

LYS

THR

HIS

ARG

LYS

ALA

5

ALA

ARG

Samples:

sample_1: 1,2-dihexanoyl-sn-glycero-3-phosphocholine, none, 350 mM; 1,2-dimyristoyl-sn-glycero-3-phosphocholine, none, 105 mM; HEPES, none, 25 mM; CD33(Gln251-Arg291), [U-100% 13C; U-100% 15N; U-80% 2H], 1.0 mM

sample_conditions_1: ionic strength: 25 mM; pH: 7.4; pressure: 1 atm; temperature: 308.2 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1

Software:

CARA, Keller and Wuthrich - chemical shift assignment

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

Bruker AVANCE 700 MHz

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