BMRB Entry 25446
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25446
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Title: solution Structure of KstB-PCP in kosinostatin biosynthesis
Deposition date: 2015-01-20 Original release date: 2016-01-19
Authors: Zhao, Bin
Citation: Zhao, Bin. "1H and 15N Assigned Chemical Shifts for KstB-PCP" Not known ., .-..
Assembly members:
KstB-PCP, polymer, 89 residues, 9699.999 Da.
entity_PNS, non-polymer, 358.348 Da.
Natural source: Common Name: Micromonospora sp. TP-A0468 Taxonomy ID: 1182970 Superkingdom: Bacteria Kingdom: not available Genus/species: Micromonospora Micromonospora sp. TP-A0468
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
KstB-PCP: MQHASVIAQFVVEEFLPDVA
PADVDVDLDLVDNGVIDSLG
LLKVIAWLEDRFGIAADDVE
LSPEHFRSIRSIDAFVVGAT
TPPVEAKLQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 234 |
| 15N chemical shifts | 90 |
| 1H chemical shifts | 606 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | KstB-PCP | 1 |
| 2 | PHOSPHOPANTETHEINE | 2 |
Entities:
Entity 1, KstB-PCP 89 residues - 9699.999 Da.
| 1 | MET | GLN | HIS | ALA | SER | VAL | ILE | ALA | GLN | PHE | ||||
| 2 | VAL | VAL | GLU | GLU | PHE | LEU | PRO | ASP | VAL | ALA | ||||
| 3 | PRO | ALA | ASP | VAL | ASP | VAL | ASP | LEU | ASP | LEU | ||||
| 4 | VAL | ASP | ASN | GLY | VAL | ILE | ASP | SER | LEU | GLY | ||||
| 5 | LEU | LEU | LYS | VAL | ILE | ALA | TRP | LEU | GLU | ASP | ||||
| 6 | ARG | PHE | GLY | ILE | ALA | ALA | ASP | ASP | VAL | GLU | ||||
| 7 | LEU | SER | PRO | GLU | HIS | PHE | ARG | SER | ILE | ARG | ||||
| 8 | SER | ILE | ASP | ALA | PHE | VAL | VAL | GLY | ALA | THR | ||||
| 9 | THR | PRO | PRO | VAL | GLU | ALA | LYS | LEU | GLN |
Entity 2, PHOSPHOPANTETHEINE - C11 H23 N2 O7 P S - 358.348 Da.
| 1 | PNS |
Samples:
sample_1: KstB-PCP, [U-99% 13C; U-99% 15N], 2 mM; phosphate 80 mM; Sodium chloride 50 mM
pH: pH: 7.0
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCACB | sample_1 | isotropic | pH |
Software:
No software information available
NMR spectrometers:
- AGILENT INOVA 600 MHz
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