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PDB ID: 9kax
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36702
MolProbity Validation Chart

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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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Name: The outward-open structure of BjSemiSWEET in native cellular membranes determined by in situ solid-state NMR
Published: 2026-03-26

Title:

The outward-open structure of BjSemiSWEET in native cellular membranes determined by in situ solid-state NMR

Deposition date:

2024-10-30

Original release date:

2026-03-26

Authors:

Xie, H.; Yang, J.

Citation:

Citation: Xie, Huayong; Gan, Yuefang; Zhao, Weijing; Duan, Mojie; Shen, Yang; Tan, Huan; Zhang, Yan; Tong, Qiong; Zhao, Yongxiang; Yang, Jun. "Dynamic structures of a membrane transporter in native cellular membranes." Sci. Adv. 11, eadv4583-eadv4583 (2025).
PubMed: 41223279

Assembly members:

Assembly members:
Sugar transporter SemiSWEET, polymer, 172 residues, 9198.216 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 224911 Superkingdom: not available Kingdom: Pseudomonadati Genus/species: Bradyrhizobium diazoefficiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Sugar transporter SemiSWEET: MDPFLIKLIGFAAATCTTVA YAPQFIKVLKTRSARDISLG MFLVMVLGLALWLIYGLLSG DAPLIASNAVTMLLAGGILV MKLRYG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	308
15N chemical shifts	83

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1_1	1
2	entity_1_2	1

Entities:

Entity 1, entity_1_1 172 residues - 9198.216 Da.

1

MET

ASP

PRO

PHE

LEU

ILE

LYS

LEU

ILE

GLY

2

PHE

ALA

THR

CYS

THR

VAL

ALA

3

TYR

ALA

PRO

GLN

PHE

ILE

LYS

VAL

LEU

LYS

4

THR

ARG

SER

ALA

ARG

ASP

ILE

SER

LEU

GLY

5

MET

PHE

LEU

VAL

MET

VAL

LEU

GLY

LEU

ALA

6

LEU

TRP

LEU

ILE

TYR

GLY

LEU

SER

GLY

7

ASP

ALA

PRO

LEU

ILE

ALA

SER

ASN

ALA

VAL

8

THR

MET

LEU

ALA

GLY

ILE

LEU

VAL

9

MET

LYS

LEU

ARG

TYR

GLY

Samples:

sample_1: Sucrose transport protein, Bradyrhizobium japonicum SemiSWEET (BjSemiSWEET), [U-13C; U-15N], 60 ± 20 % w/w; H2O 100%

sample_conditions_1: ionic strength: 1 M; pH: 8.2; pressure: 1 mbar; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D NCACX	sample_1	isotropic	sample_conditions_1
3D NCOCX	sample_1	isotropic	sample_conditions_1
3D CONCA	sample_1	isotropic	sample_conditions_1
2D 500ms CORD	sample_1	isotropic	sample_conditions_1

Software:

Sparky, Goddard - chemical shift assignment

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

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

Sparky, Goddard - peak picking

NMR spectrometers:

Bruker Bruker AVANCE III 800 800 MHz

BMRB Entry 36702