BMRB Entry 30244

Name: Heterogeneous-backbone Foldamer Mimic of the Sp1-3 Zinc Finger
Published: 2017-05-25

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PDB ID: 5us3
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30244
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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:

Heterogeneous-backbone Foldamer Mimic of the Sp1-3 Zinc Finger

Deposition date:

2017-02-13

Original release date:

2017-05-25

Authors:

George, K.; Horne, W.

Citation:

Citation: George, K.; Horne, W.. "Heterogeneous-Backbone Foldamer Mimics of Zinc Finger Tertiary Structure" J. Am. Chem. Soc. 139, 7931-7938 (2017).
PubMed: 28509549

Assembly members:

Assembly members:
entity_1, polymer, 29 residues, 3484.174 Da.
entity_ZN, non-polymer, 65.409 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: KYXCPECPKXFXRSXHLSXH IXTHXNKKX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	213

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_2	2

Entities:

Entity 1, entity_1 29 residues - 3484.174 Da.

1

LYS

TYR

MAA

CYS

PRO

GLU

CYS

PRO

LYS

MMO

2

PHE

NLE

ARG

SER

B3D

HIS

LEU

SER

B3K

HIS

3

ILE

B3K

THR

HIS

B3Q

ASN

LYS

NH2

Entity 2, entity_2 - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: DSS 0.2 mM; peptide 1.25 mM; zinc chloride 1.5 mM

sample_conditions_1: ionic strength: 5 mM; pH: 7.0; pressure: 1 atm; temperature: 277 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D TOCSY	sample_1	isotropic	sample_conditions_1
2D COSY	sample_1	isotropic	sample_conditions_1
2D NOESY	sample_1	isotropic	sample_conditions_1

Software:

CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation

SPARKY, Goddard - data analysis

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 700 MHz