BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 6832

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6832

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title: Comparative NMR study on the impact of point mutations on protein stability of Pseudomonas mendocina lipase   PubMed: 16823035

Deposition date: 2005-09-21 Original release date: 2006-08-07

Authors: Favier, Adrien; Sibille, Nathalie; van Nuland, Nico; Boelens, Rolf; Ganshaw, Grant; Bott, Rick

Citation: Sibille, Nathalie; Favier, Adrien; Azuaga, Ana; Ganshaw, Grant; Bott, Rick; Bonvin, Alexandre; Boelens, Rolf; van Nuland, Nico. "Comparative NMR study on the impact of point mutations on protein stability of Pseudomonas mendocina lipase"  Protein Sci. 15, 1915-1927 (2006).

Assembly members:
Pseudomonas mendocina lipase enzyme, polymer, 258 residues, Formula weight is not available
DIETHYL P-NITROPHENYL PHOSPHATE, non-polymer, 275.195 Da.

Natural source:   Common Name: Pseudomonas mendocina   Taxonomy ID: 300   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Pseudomonas mendocina

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
Pseudomonas mendocina lipase enzyme: APLPDTPGAPFPAVANFDRS GPYTVSSQSEGPSCRIYRPR DLGQGGVRHPVILWGNGTGA GPSTYAGLLSHWASHGFVVA AAETSNAGTGREMLACLDYL VRENDTPYGTYSGKLNTGRV GTSGHSQGGGGSIMAGQDTR VRTTAPIQPYTLGLGHDSAS QRRQQGPMFLMSGGGDTIAP PYLNAQPVYRRANVPVFWGE RRYVGHFEPVGSGGAYRGPS TAWFRFQLMDDQDARATFYG AQCSLCTSLLWSVERRGL

Data sets:
Data typeCount
13C chemical shifts671
15N chemical shifts237
1H chemical shifts237

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1lipase PG1
2e6002

Entities:

Entity 1, lipase PG 258 residues - Formula weight is not available

1   ALAPROLEUPROASPTHRPROGLYALAPRO
2   PHEPROALAVALALAASNPHEASPARGSER
3   GLYPROTYRTHRVALSERSERGLNSERGLU
4   GLYPROSERCYSARGILETYRARGPROARG
5   ASPLEUGLYGLNGLYGLYVALARGHISPRO
6   VALILELEUTRPGLYASNGLYTHRGLYALA
7   GLYPROSERTHRTYRALAGLYLEULEUSER
8   HISTRPALASERHISGLYPHEVALVALALA
9   ALAALAGLUTHRSERASNALAGLYTHRGLY
10   ARGGLUMETLEUALACYSLEUASPTYRLEU
11   VALARGGLUASNASPTHRPROTYRGLYTHR
12   TYRSERGLYLYSLEUASNTHRGLYARGVAL
13   GLYTHRSERGLYHISSERGLNGLYGLYGLY
14   GLYSERILEMETALAGLYGLNASPTHRARG
15   VALARGTHRTHRALAPROILEGLNPROTYR
16   THRLEUGLYLEUGLYHISASPSERALASER
17   GLNARGARGGLNGLNGLYPROMETPHELEU
18   METSERGLYGLYGLYASPTHRILEALAPRO
19   PROTYRLEUASNALAGLNPROVALTYRARG
20   ARGALAASNVALPROVALPHETRPGLYGLU
21   ARGARGTYRVALGLYHISPHEGLUPROVAL
22   GLYSERGLYGLYALATYRARGGLYPROSER
23   THRALATRPPHEARGPHEGLNLEUMETASP
24   ASPGLNASPALAARGALATHRPHETYRGLY
25   ALAGLNCYSSERLEUCYSTHRSERLEULEU
26   TRPSERVALGLUARGARGGLYLEU

Entity 2, e600 - C10 H14 N O6 P - 275.195 Da.

1   EPP

Samples:

sample_1: Pseudomonas mendocina lipase enzyme, [U-95% 13C; U-90% 15N], 0.8 ± 0.1 mM

sample_2: Pseudomonas mendocina lipase enzyme, [U-90% 15N], 0.4 ± 0.1 mM

conditions_1: pH: 5.8; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
1H15N_HSQCnot availablenot availableconditions_1
HNCAnot availablenot availableconditions_1
HNCACBnot availablenot availableconditions_1
HNCOnot availablenot availableconditions_1
1H-15N heteronuclear NOEnot availablenot availableconditions_1
15N T1not availablenot availableconditions_1
15N T1 rhonot availablenot availableconditions_1

Software:

xwinnmr v3.5 -

NMR spectrometers:

  • BRUKER advance ULTRA SHIELDED 600 MHz

Related Database Links:

BMRB 6935
PDB

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