BMRB Entry 25064

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25064
MolProbity Validation Chart

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Title:
apo structure of the Peptidyl Carrier Protein Domain 7 of the teicoplanin producing Non-ribosomal peptide synthetase
Deposition date:
2014-07-02
Original release date:
2015-01-26
Authors:
Haslinger, Kristina; Maximowitsch, Egle; Redfield, Christina; Cryle, Max
Citation:

Citation: Haslinger, Kristina; Maximowitsch, Egle; Brieke, Clara; Koch, Alexa; Redfield, Christina; Cryle, Max. "Structure of the terminal PCP domain of the non-ribosomal peptide synthetase in teicoplanin biosynthesis"  Proteins ., .-. (2015).
PubMed: 25586301

Assembly members:

Assembly members:
PCP7T, polymer, 91 residues, 9677.0656 Da.

Natural source:

Natural source:   Common Name: high GC Gram+   Taxonomy ID: 1867   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Actinoplanes teichomyceticus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pETGB1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PCP7T: GAMAKAPESATEKVLCALYA EILGVERVGVDDAFHDLGGS SALAMRLIARIREELGVDLP IRQLFSSPTPAGVARALAAK SASWSHPQFEK

Data typeCount
1H chemical shifts1735
13C chemical shifts156
15N chemical shifts70

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PCP7T1

Entities:

Entity 1, PCP7T 91 residues - 9677.0656 Da.

1   GLYALAMETALALYSALAPROGLUSERALA
2   THRGLULYSVALLEUCYSALALEUTYRALA
3   GLUILELEUGLYVALGLUARGVALGLYVAL
4   ASPASPALAPHEHISASPLEUGLYGLYSER
5   SERALALEUALAMETARGLEUILEALAARG
6   ILEARGGLUGLULEUGLYVALASPLEUPRO
7   ILEARGGLNLEUPHESERSERPROTHRPRO
8   ALAGLYVALALAARGALALEUALAALALYS
9   SERALASERTRPSERHISPROGLNPHEGLU
10   LYS

Samples:

sample_1: PCP7T, [U-100% 13C; U-100% 15N], 350 – 500 uM; TRIS 50 mM; H2O 95%; D2O 5%

sample_2: PCP7T 500 uM; TRIS 50 mM; H2O 95%; D2O 5%

sample_3: PCP7T 500 uM; TRIS 50 mM; D2O 100%

sample_conditions_1: temperature: 293 K; pH: 7.4; pressure: 1 atm; ionic strength: 0.1 M

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_3isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNCCCONHsample_1isotropicsample_conditions_1
3D CBCANHsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1

Software:

CcpNmr_Analysis v2.3.1, CCPN - chemical shift assignment, peak picking

YASARA v2, YASARA Biosciences GmbH, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing, refinement

TALOS, Cornilescu, Delaglio and Bax - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

WhatIF, Vriend - data analysis

NMR spectrometers:

  • Bruker Bruker 600 MHz
  • home-built home-built 750 MHz
  • home-built home-built 950 MHz

Related Database Links:

UNP Q70AZ6
BMRB 25065
PDB
EMBL CAE53353 CAG15012
AlphaFold Q70AZ6