BMRB Entry 5498

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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/BMR5498
MolProbity Validation Chart

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Title:
Backbone and Sidechain 1H, 13C, and 15N Chemical Shift Assigments for Complex between p67SH3(C) and p47 Tail Peptide
Deposition date:
2002-08-08
Original release date:
2002-08-22
Authors:
Kami, Keiichiro; Takeya, Ryu; Sumimoto, Hideki; Kohda, Daisuke
Citation:

Citation: Kami, Keiichiro; Takeya, Ryu; Sumimoto, Hideki; Kohda, Daisuke. "Diverse Recognition of Non-PxxP Peptide Ligands by the SH3 Domains from p67(phox), Grb2 and Pex13p"  EMBO J. 21, 4268-4276 (2002).

Assembly members:

Assembly members:
Src homology 3, polymer, 64 residues, 7076 Da.
C-terminal region of p47phox, polymer, 33 residues, 3475 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pGEX-2T

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Src homology 3: GSQLKKGSQVEALFSYEATQ PEDLEFQEGDIILVLSKVNE EWLEGESKGKVGIFPKVFVE DSAT
C-terminal region of p47phox: GSKPQPAVPPRPSADLILNR CSESTKRKLASAV

Data sets:
Data typeCount
1H chemical shifts655
13C chemical shifts395
15N chemical shifts86

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1p67phox C-terminal SH3 domain1
2p47phox C-terminal region, p47 tail peptide2

Entities:

Entity 1, p67phox C-terminal SH3 domain 64 residues - 7076 Da.

1   GLYSERGLNLEULYSLYSGLYSERGLNVAL
2   GLUALALEUPHESERTYRGLUALATHRGLN
3   PROGLUASPLEUGLUPHEGLNGLUGLYASP
4   ILEILELEUVALLEUSERLYSVALASNGLU
5   GLUTRPLEUGLUGLYGLUSERLYSGLYLYS
6   VALGLYILEPHEPROLYSVALPHEVALGLU
7   ASPSERALATHR

Entity 2, p47phox C-terminal region, p47 tail peptide 33 residues - 3475 Da.

1   GLYSERLYSPROGLNPROALAVALPROPRO
2   ARGPROSERALAASPLEUILELEUASNARG
3   CYSSERGLUSERTHRLYSARGLYSLEUALA
4   SERALAVAL

Samples:

sample_1: Src homology 3, [U-98% 13C; U-98% 15N], 0.5 – 0.7 mM; C-terminal region of p47phox, [U-98% 13C; U-98% 15N], 0.5 – 0.7 mM

Ex-cond_1: pH: 7.1; temperature: 298 K; ionic strength: 0.1 M

Experiments:

NameSampleSample stateSample conditions
HNCAnot availablenot availablenot available
HN(CO)CAnot availablenot availablenot available
CBCA(CO)NHnot availablenot availablenot available
HNCACBnot availablenot availablenot available
HBHA(CO)NHnot availablenot availablenot available
HCCH-COSYnot availablenot availablenot available
HCCH-TOCSYnot availablenot availablenot available
CCH-COSYnot availablenot availablenot available
15N-resolved NOESYnot availablenot availablenot available
15N-resolved TOCSYnot availablenot availablenot available
HNHAnot availablenot availablenot available
HNHBnot availablenot availablenot available
3D F1 13C-filtered F3 13C-resolved NOESYnot availablenot availablenot available
3D F1 15N-filtered F3 15N-resolved NOESYnot availablenot availablenot available
2D spin-echo difference experimentsnot availablenot availablenot available

Software:

nmrPipe - raw spectral data processing

NMR spectrometers:

  • Bruker DMX 600 MHz

Related Database Links:

PDB
DBJ BAD96937 BAJ20521
GB AAA57209 AAA59901 AAB95193 AAF34737 AAH02816
REF NP_000256 XP_001084055 XP_001152639 XP_002817919 XP_003276682
SP A6NI72 A8MVU1 P14598
AlphaFold A6NI72 A8MVU1 P14598

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks