BMRB Entry 6581

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PDB ID: 2oi3
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6581
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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: Sequence-specific 1H, 13C and 15N resonance assignments of hemopoietic cell kinase SH3 domains in complex with a synthetic peptide PubMed: 17141806

Deposition date: 2005-04-05 Original release date: 2007-02-07

Authors: Schmidt, Holger; Stoldt, Matthias; Tran, Tuyen; Hoffmann, Silke; Willbold, Dieter

Citation: Schmidt, Holger; Hoffmann, Silke; Tran, Tuyen; Stoldt, Matthias; Stangler, Thomas; Wiesehan, Katja; Willbold, Dieter. "Solution structure of a Hck SH3 Domain Ligand Complex Reveals Novel Interaction Modes" J. Mol. Biol. 365, 1517-1532 (2007).

Assembly members:
hematopoetic cell kinase SH3 domain, polymer, 86 residues, 9487 Da.
PD1 peptide, polymer, 12 residues, 1389 Da.
ACE, non-polymer, 44.053 Da.
NH2, non-polymer, 16.023 Da.

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

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
hematopoetic cell kinase SH3 domain: GPLGSPGPNSHNSNTPGIRE AGSEDIIVVALYDYEAIHHE DLSFQKGDQMVVLEESGEWW KARSLATRKEGYIPSNYVAR VDSLET
PD1 peptide: XHSKYPLPPLPSLX

Data sets:

assigned_chemical_shifts
- ChemShifts

Data type	Count
1H chemical shifts	584
13C chemical shifts	358
15N chemical shifts	91

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	Hck SH3	1
2	peptide	2

Name	Sample	Sample state	Sample conditions
N-HSQC	sample_one	not available	ExpCondition
C-HSQC	sample_one	not available	ExpCondition
HNCACB	sample_one	not available	ExpCondition
C(CO)NH	sample_one	not available	ExpCondition
H(CCO)NH	sample_one	not available	ExpCondition
HNHA	sample_one	not available	ExpCondition
HNCO	sample_one	not available	ExpCondition
HCCH-COSY	sample_one	not available	ExpCondition
HCCH-TOCSY	sample_one	not available	ExpCondition
N-NOESY	sample_one	not available	ExpCondition
C-NOESY	sample_one	not available	ExpCondition
C/N-filtered/edited NOESY	sample_one	not available	ExpCondition
C/N-double filtered NOESY	sample_one	not available	ExpCondition
C/N-double filtered COSY	sample_one	not available	ExpCondition
C/N-double filtered TOCSY	sample_one	not available	ExpCondition

SWISS-PROT	P08631
REF	XP_514571 NP_002101
GenBank	AAI08931 AAH94847 AAH14435 AAA52644 AAA52643
EMBL	CAI22967 CAI22966 CAI19695 CAI19694
DBJ	BAG60878 BAF83617 BAB15482
PDB	5HCK 4HCK 2OJ2 2OI3 2HCK 2C0T 2C0O 2C0I 1QCF 1BU1 1AD5
BMRB	4122

Biological Magnetic Resonance Data Bank

BMRB Entry 6581

Title: Sequence-specific 1H, 13C and 15N resonance assignments of hemopoietic cell kinase SH3 domains in complex with a synthetic peptide PubMed: 17141806

Additional metadata:

Assembly:

Entities:

Samples:

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Software:

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