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Biological Magnetic Resonance Data Bank


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BMRB Entry 17160

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17160
MolProbity Validation Chart

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Title: 1H, 13C, 15N resonance assignment of the chitin-binding protein CBP21 from Serratia marcescens   PubMed: 21052875

Deposition date: 2010-08-31 Original release date: 2010-11-09

Authors: Vaaje-Kolstad, Gustav; Eijsink, Vincent; Aachmann, Finn

Citation: Aachmann, Finn; Eijsink, Vincent; Vaaje-Kolstad, Gustav. "(1)H, (13)C, (15)N resonance assignment of the chitin-binding protein CBP21 from Serratia marcescens."  Biomol. NMR Assignments 5, 117-119 (2011).

Assembly members:
CBP21, polymer, 170 residues, 18794 Da.

Natural source:   Common Name: Serratia marcescens   Taxonomy ID: 615   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Serratia marcescens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pRSETB_cbp21

Entity Sequences (FASTA):
CBP21: HGYVESPASRAYQCKLQLNT QCGSVQYEPQSVEGLKGFPQ AGPADGHIASADKSTFFELD QQTPTRWNKLNLKTGPNSFT WKLTARHSTTSWRYFITKPN WDASQPLTRASFDLTPFCQF NDGGAIPAAQVTHQCNIPAD RSGSHVILAVWDIADTANAF YQAIDVNLSK

Data sets:
Data typeCount
13C chemical shifts652
15N chemical shifts179
1H chemical shifts1032

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1CBP211

Entities:

Entity 1, CBP21 170 residues - 18794 Da.

CBP21 carrying an N-terminal leader sequence, which is cleaved of during translocation to the periplasmic space resulting in CBP21 (AA: 28-197)

1   HISGLYTYRVALGLUSERPROALASERARG
2   ALATYRGLNCYSLYSLEUGLNLEUASNTHR
3   GLNCYSGLYSERVALGLNTYRGLUPROGLN
4   SERVALGLUGLYLEULYSGLYPHEPROGLN
5   ALAGLYPROALAASPGLYHISILEALASER
6   ALAASPLYSSERTHRPHEPHEGLULEUASP
7   GLNGLNTHRPROTHRARGTRPASNLYSLEU
8   ASNLEULYSTHRGLYPROASNSERPHETHR
9   TRPLYSLEUTHRALAARGHISSERTHRTHR
10   SERTRPARGTYRPHEILETHRLYSPROASN
11   TRPASPALASERGLNPROLEUTHRARGALA
12   SERPHEASPLEUTHRPROPHECYSGLNPHE
13   ASNASPGLYGLYALAILEPROALAALAGLN
14   VALTHRHISGLNCYSASNILEPROALAASP
15   ARGSERGLYSERHISVALILELEUALAVAL
16   TRPASPILEALAASPTHRALAASNALAPHE
17   TYRGLNALAILEASPVALASNLEUSERLYS

Samples:

label_H2O: CBP21, [U-98% 13C; U-98% 15N], 1.0 – 1.6 mM; sodium phosphate 20 ± 0.1 mM; sodium chloride 10 ± 0.1 mM; H2O 90%; D2O 10%

label_D2O: CBP21, [U-98% 13C; U-98% 15N], 1.2 – 1.4 mM; sodium phosphate 20 ± 0.1 mM; sodium chloride 10 ± 0.1 mM; D2O 100%

non_D2O: CBP211.2 – 1.4 mM; sodium phosphate 20 ± 0.1 mM; sodium chloride 10 ± 0.1 mM; D2O 100%

non_H2O: CBP211.2 – 1.4 mM; sodium phosphate 20 ± 0.1 mM; sodium chloride 10 ± 0.1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.06 M; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQClabel_H2Oisotropicsample_conditions_1
2D 1H-13C HSQClabel_D2Oisotropicsample_conditions_1
2D 1H-1H TOCSYnon_D2Oisotropicsample_conditions_1
2D 1H-1H TOCSYnon_H2Oisotropicsample_conditions_1
2D 1H-1H COSYnon_D2Oisotropicsample_conditions_1
2D 1H-1H COSYnon_H2Oisotropicsample_conditions_1
2D 1H-1H NOESYnon_D2Oisotropicsample_conditions_1
2D 1H-1H NOESYnon_H2Oisotropicsample_conditions_1
3D CBCA(CO)NHlabel_H2Oisotropicsample_conditions_1
3D HNCOlabel_H2Oisotropicsample_conditions_1
3D HNCAlabel_H2Oisotropicsample_conditions_1
3D HNCACBlabel_H2Oisotropicsample_conditions_1
3D HN(CO)CAlabel_H2Oisotropicsample_conditions_1
3D HCCH-TOCSYlabel_D2Oisotropicsample_conditions_1
3D HCCH-COSYlabel_D2Oisotropicsample_conditions_1
3D HBHANHlabel_H2Oisotropicsample_conditions_1
3D HN(CA)COlabel_H2Oisotropicsample_conditions_1
3D 1H-15N NOESYlabel_H2Oisotropicsample_conditions_1

Software:

xwinnmr v3.5, Bruker Biospin - collection

CARA v1.5.1/1.8.4, CARA - chemical shift assignment, data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB
DBJ BAA31569 BAO35063
EMBL CDG13442
GB AAU88202 AGO05942 AIA47583 AIM23065 AKL42792
REF WP_004936574 WP_019453872 WP_025303806 WP_033635482 WP_033643984

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