BMRB Entry 15454

Name: allo-ThrA3 DKP-insulin
Published: 2008-06-25

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PDB ID: 2juu
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15454
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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Title: allo-ThrA3 DKP-insulin PubMed: 17884811

Deposition date: 2007-09-03 Original release date: 2008-06-25

Authors: Huang, Kun; Chan, Shu; Hua, Qing-xin; Chu, Ying-Chi; Wang, Run-ying; Klaproth, Birgit; Jia, Wenhua; Whittaker, Jonathan; De Meyts, Pierre; Nakagawa, Satoe; Steiner, Donald; Katsoyannis, Panayotis; Weiss, Michael

Citation: Huang, Kun; Chan, Shu; Hua, Qing-xin; Chu, Ying-Chi; Wang, Run-ying; Klaproth, Birgit; Jia, Wenhua; Whittaker, Jonathan; De Meyts, Pierre; Nakagawa, Satoe; Steiner, Donald; Katsoyannis, Panayotis; Weiss, Michael. "The A-chain of insulin contacts the insert domain of the insulin receptor. Photo-cross-linking and mutagenesis of a diabetes-related crevice" J. Biol. Chem. 282, 35337-35349 (2007).

Assembly members:
allo-Thr_A_chain, polymer, 21 residues, Formula weight is not available
B_chain, polymer, 30 residues, Formula weight is not available

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
allo-Thr_A_chain: GIXEQCCTSICSLYQLENYC N
B_chain: FVNQHLCGSDLVEALYLVCG ERGFFYTKPT

Data sets:

assigned_chemical_shifts
- ALO-A3_A_chain

Data type	Count
1H chemical shifts	303

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_2	2

1	PHE	VAL	ASN	GLN	HIS	LEU	CYS	GLY	SER	ASP
2	LEU	VAL	GLU	ALA	LEU	TYR	LEU	VAL	CYS	GLY
3	GLU	ARG	GLY	PHE	PHE	TYR	THR	LYS	PRO	THR

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_2	isotropic	sample_conditions_2
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_2
2D DQF-COSY	sample_3	isotropic	sample_conditions_3
2D 1H-1H TOCSY	sample_3	isotropic	sample_conditions_3
2D 1H-1H NOESY	sample_3	isotropic	sample_conditions_3
2D DQF-COSY	sample_4	isotropic	sample_conditions_4
2D 1H-1H TOCSY	sample_4	isotropic	sample_conditions_4
2D 1H-1H NOESY	sample_4	isotropic	sample_conditions_4
2D DQF-COSY	sample_4	isotropic	sample_conditions_5
2D 1H-1H TOCSY	sample_4	isotropic	sample_conditions_5
2D 1H-1H NOESY	sample_4	isotropic	sample_conditions_5

Biological Magnetic Resonance Data Bank

BMRB Entry 15454

Title: allo-ThrA3 DKP-insulin PubMed: 17884811

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

1	PHE	VAL	ASN	GLN	HIS	LEU	CYS	GLY	SER	ASP
2	LEU	VAL	GLU	ALA	LEU	TYR	LEU	VAL	CYS	GLY
3	GLU	ARG	GLY	PHE	PHE	TYR	THR	LYS	PRO	THR

BMRB	15455 15450 15455 16608 17108 1760 1762 5246
PDB	2JUU 2JUV 2W44 1K3M 1KMF 1LKQ 1VKT 2JMN 2JUM 2JUU 2JUV 2KQP 2L1Z 4IUZ

1	PHE	VAL	ASN	GLN	HIS	LEU	CYS	GLY	SER	ASP
2	LEU	VAL	GLU	ALA	LEU	TYR	LEU	VAL	CYS	GLY
3	GLU	ARG	GLY	PHE	PHE	TYR	THR	LYS	PRO	THR

1	PHE	VAL	ASN	GLN	HIS	LEU	CYS	GLY	SER	ASP
2	LEU	VAL	GLU	ALA	LEU	TYR	LEU	VAL	CYS	GLY
3	GLU	ARG	GLY	PHE	PHE	TYR	THR	LYS	PRO	THR