BMRB Entry 16070

Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16070

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Title:
Apo Pin1 WW Domain
Deposition date:
2008-12-18
Original release date:
2009-03-03
Authors:
Kowalski, Jennifer; Liu, Kai; Kelly, Jeffery
Citation:

Citation: Kowalski, Jennifer; Liu, Kai; Kelly, Jeffery. "NMR solution structure of the isolated Apo Pin1 WW domain: comparison to the x-ray crystal structures of Pin1"  Biopolymers 63, 111-121 (2002).
PubMed: 11786999

Assembly members:

Assembly members:
Pin1_WW, polymer, 36 residues, 4174.678 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Pin1_WW: GSKLPPGWEKRMSRSSGRVY YFNHITNASQWERPSG

Data sets:
Data typeCount
1H chemical shifts200

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Pin1_WW1

Entities:

Entity 1, Pin1_WW 36 residues - 4174.678 Da.

1   GLYSERLYSLEUPROPROGLYTRPGLULYS
2   ARGMETSERARGSERSERGLYARGVALTYR
3   TYRPHEASNHISILETHRASNALASERGLN
4   TRPGLUARGPROSERGLY

Samples:

sample_1: Pin1_WW 1.0-1.2 mM; potassium phosphate 50 mM; sodium azide 0.02 %v/v; DSS trace%; H2O 90%; D2O 10%

sample_2: Pin1_WW 1.0-1.2 mM; potassium phosphate 50 mM; sodium azide 0.02 %v/v; DSS trace%; D2O 100%

sample_conditions_1: pH: 6.2; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1

Software:

PROSA, Guntert - processing

XEASY, Bartels et al. - chemical shift assignment, peak picking

GARANT, Bartels, Guntert, Billeter and Wuthrich - chemical shift assignment

AMBER vOPAL, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement

DYANA, Guntert, Braun and Wuthrich - structure solution

NMR spectrometers:

  • Bruker AMX 600 MHz
  • Bruker DMX 750 MHz
  • Bruker DRX 800 MHz

Related Database Links:

BMRB 16088 17545 19258 19259 25569
PDB
DBJ BAA87037 BAA87038 BAB22270 BAB22743 BAC35631
EMBL CAG28582
GB AAC50492 AAH02899 AAH38254 AAH59553 AAI12584
PRF 2209428A
REF NP_001029804 NP_001231300 NP_001270625 NP_006212 NP_075860
SP Q13526 Q4R383 Q5BIN5 Q9QUR7
TPG DAA28013
AlphaFold Q13526 Q4R383 Q5BIN5 Q9QUR7