BMRB Entry 18785

Name: Erbin PDZ Domain (Wild Type)
Published: 2013-01-29

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18785

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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: Erbin PDZ Domain (Wild Type) PubMed: 23159126

Deposition date: 2012-10-12 Original release date: 2013-01-29

Authors: Smith, Colin; Kelly, Mark; Kortemme, Tanja

Citation: Smith, Colin; Shi, Catherine; Chroust, Matthew; Bliska, Thomas; Kelly, Mark; Jacobson, Matthew; Kortemme, Tanja. "Design of a phosphorylatable PDZ domain with Peptide-specific affinity changes." Structure 21, 54-64 (2013).

Assembly members:
Erbin_PDZ_WT, polymer, 120 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: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
Erbin_PDZ_WT: AHHHHHHSAALEVLFQGPGS EFHELAKQEIRVRVEKDPEL GFSISGGVGGRGNPFRPDDD GIFVTRVQPEGPASKLLQPG DKIIQANGYSFINIEHGQAV SLLKTFQNTVELIIVREVSS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
- assigned_chem_shift_list_2

Data type	Count
13C chemical shifts	222
15N chemical shifts	111
1H chemical shifts	111

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Erbin_PDZ_WT	1

Entities:

Entity 1, Erbin_PDZ_WT 120 residues - Formula weight is not available

1	ALA	HIS	HIS	HIS	HIS	HIS	HIS	SER	ALA	ALA
2	LEU	GLU	VAL	LEU	PHE	GLN	GLY	PRO	GLY	SER
3	GLU	PHE	HIS	GLU	LEU	ALA	LYS	GLN	GLU	ILE
4	ARG	VAL	ARG	VAL	GLU	LYS	ASP	PRO	GLU	LEU
5	GLY	PHE	SER	ILE	SER	GLY	GLY	VAL	GLY	GLY
6	ARG	GLY	ASN	PRO	PHE	ARG	PRO	ASP	ASP	ASP
7	GLY	ILE	PHE	VAL	THR	ARG	VAL	GLN	PRO	GLU
8	GLY	PRO	ALA	SER	LYS	LEU	LEU	GLN	PRO	GLY
9	ASP	LYS	ILE	ILE	GLN	ALA	ASN	GLY	TYR	SER
10	PHE	ILE	ASN	ILE	GLU	HIS	GLY	GLN	ALA	VAL
11	SER	LEU	LEU	LYS	THR	PHE	GLN	ASN	THR	VAL
12	GLU	LEU	ILE	ILE	VAL	ARG	GLU	VAL	SER	SER

Samples:

sample_1: Erbin PDZ WT, [U-100% 13C; U-100% 15N], 0.6 ± 0.3 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 300.7 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

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

CcpNMR, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

Bruker DRX 500 MHz

BMRB	18786
PDB	1MFG 1MFL 1N7T 2H3L 2QBW 3CH8
DBJ	BAA86539 BAC26267 BAC34742 BAC65755 BAG10002
GB	AAF77047 AAF77048 AAH05691 AAH28256 AAI15013
REF	NP_001005868 NP_001006600 NP_001193082 NP_001240626 NP_001240628
SP	Q80TH2 Q96RT1
TPG	DAA17975

Biological Magnetic Resonance Data Bank