BMRB Entry 5631

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5631
MolProbity Validation Chart

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NMR-STAR v3 text file.
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All files associated with the entry

Title:
ERBIN PDZ domain bound to a phage-derived peptide
Deposition date:
2002-12-19
Original release date:
2003-08-07
Authors:
Skelton, N.; Koehler, M.; Zobel, K.; Wong, W.; Yeh, S.; Pisabarro, M.; Yin, J.; Lasky, L.; Sidhu, S.
Citation:

Citation: Skelton, N.; Koehler, M.; Zobel, K.; Wong, W.; Yeh, S.; Pisabarro, M.; Yin, J.; Lasky, L.; Sidhu, S.. "Origins of PDZ Domain Ligand Specificity: Structure Determination and Mutagenesis of the Erbin PDZ Domain "  J. Biol. Chem. 278, 7645-7654 (2003).
PubMed: 12446668

Assembly members:

Assembly members:
kalata B1, polymer, 103 residues, Formula weight is not available
99-MER PEPTIDE, polymer, 7 residues, Formula weight is not available

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   Host organism: Escherichia coli   Vector: PLASMID

Entity Sequences (FASTA):

Entity Sequences (FASTA):
kalata B1: GSHMGHELAKQEIRVRVEKD PELGFSISGGVGGRGNPFRP DDDGIFVTRVQPEGPASKLL QPGDKIIQANGYSFINIEHG QAVSLLKTFQNTVELIIVRE VSS
99-MER PEPTIDE: TGWETWV

Data sets:
Data typeCount
1H chemical shifts764
13C chemical shifts441
15N chemical shifts107

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1kalata B11
2PEPTIDE2

Entities:

Entity 1, kalata B1 103 residues - Formula weight is not available

1   GLYSERHISMETGLYHISGLULEUALALYS
2   GLNGLUILEARGVALARGVALGLULYSASP
3   PROGLULEUGLYPHESERILESERGLYGLY
4   VALGLYGLYARGGLYASNPROPHEARGPRO
5   ASPASPASPGLYILEPHEVALTHRARGVAL
6   GLNPROGLUGLYPROALASERLYSLEULEU
7   GLNPROGLYASPLYSILEILEGLNALAASN
8   GLYTYRSERPHEILEASNILEGLUHISGLY
9   GLNALAVALSERLEULEULYSTHRPHEGLN
10   ASNTHRVALGLULEUILEILEVALARGGLU
11   VALSERSER

Entity 2, PEPTIDE 7 residues - Formula weight is not available

1   THRGLYTRPGLUTHRTRPVAL

Samples:

sample_1: kalata B1, [U-15N], 2 mM; 99-MER PEPTIDE 2.2 mM; sodium phosphate 25 mM; sodium chloride 50 mM; H2O 90%; D2O 10%

sample_2: kalata B1, [U-15N; U-13C], 2 mM; 99-MER PEPTIDE 2.2 mM; sodium phosphate 25 mM; sodium chloride 50 mM; H2O 90%; D2O 10%

sample_3: kalata B1, [U-15N; U-13C], 2 mM; 99-MER PEPTIDE 2.2 mM; sodium phosphate 25 mM; sodium chloride 50 mM; D2O 100%

sample_4: kalata B1, [U-15N], 2 mM; 99-MER PEPTIDE 2.2 mM; sodium phosphate 25 mM; sodium chloride 50 mM; Pf1_phage 15 mg/ml; H2O 90%; D2O 10%

sample_cond_1: pH: 6.5; temperature: 298 K; ionic strength: 250 mM; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
3D_15N-separated_NOESYnot availablenot availablenot available
HNHAnot availablenot availablenot available
3D-HNHBnot availablenot availablenot available
3D 15N-separated low mixing time TOCSYnot availablenot availablenot available
2D-15N-filtered NOESYnot availablenot availablenot available
3D_13C-separated_NOESYnot availablenot availablenot available
3D-13_filterednot availablenot availablenot available
13C-edited NOESYnot availablenot availablenot available
2D-13C-filtered NOESYnot availablenot availablenot available

Software:

XWINNMR v3.1 - collection

FELIX v98 - data analysis

CNS v2000.1 - refinement

NMR spectrometers:

  • Bruker DRX 800 MHz

Related Database Links:

SWISS-PROT Q96RT1
REF XP_001162804 XP_001162761 XP_001162635 XP_001088781 NP_061165
GenBank AAK69431 AAI26465 AAI15016 AAI15013 AAF77048
DBJ BAG58554 BAG10002 BAA86539
PDB

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