BMRB Entry 5246

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5246

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Chiral Mutagenesis of Insulin's Hidden Receptor-Binding Surface: Structure of an Allo-isoleucine A2 Analogue PubMed: 11866509

Deposition date: 2001-12-27 Original release date: 2008-07-17

Authors: Xu, Bin; Hua, Qing-xin; Nakagawa, Satoe; Jia, Wenhua; Chu, Ying-Chi; Katsoyannis, Panayotis; Weiss, Michael

Citation: Xu, Bin; Hua, Qing-xin; Nakagawa, Satoe; Jia, Wenhua; Chu, Ying-Chi; Katsoyannis, Panayotis; Weiss, Michael. "Chiral Mutagenesis of Insulin's Hidden Receptor-binding Surface: Structure of an Allo-isoleucine(A2) Analogue " J. Mol. Biol. 316, 435-441 (2002).

Assembly members:
human insulin, polymer, 21 residues, Formula weight is not available
human insulin, polymer, 30 residues, Formula weight is not available

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
human insulin: GXVEQCCTSICSLYQLENYC N
human insulin: FVNQHLCGSDLVEALYLVCG ERGFFYTKPT

Data sets:

assigned_chemical_shifts

Data type	Count
1H chemical shifts	475

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	allo-IleA2-DKP-insulin, chain A	1
2	allo-IleA2-DKP-insulin, chain B	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

BMRB	15450 15454 15455 16608 17108 1760 1762 1760 1762
PDB	1K3M 1KMF 1LKQ 1VKT 2JMN 2JUM 2JUU 2JUV 2KQP 2L1Z 4IUZ 2JUV 1SJU 2JUM 2JUU 1VKT 2JMN 1KMF 1LKQ 1SJT 1K3M

Biological Magnetic Resonance Data Bank

BMRB Entry 5246

Title: Chiral Mutagenesis of Insulin's Hidden Receptor-Binding Surface: Structure of an Allo-isoleucine A2 Analogue PubMed: 11866509

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

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	not available	not available
2D 1H-1H TOCSY	sample_1	not available	not available
2D 1H-1H DQF-COSY	sample_1	not available	not available

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