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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27078
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Courtade, Gaston; Forsberg, Zarah; Vaaje-Kolstad, Gustav; Eijsink, Vincent; Aachmann, Finn. "Chemical shift assignments for the apo-form of the catalytic domain, the linker
region, and the carbohydrate-binding domain of the cellulose-active lytic
polysaccharide monooxygenase ScLPMO10C" Biomol. NMR Assign 11, 257-264 (2017).
PubMed: 28822070
Assembly members:
N-ScLPMO10C, polymer, 200 residues, Formula weight is not available
ScCBM2, polymer, 112 residues, Formula weight is not available
ScLPMO10C, polymer, 330 residues, Formula weight is not available
Natural source: Common Name: Streptomyces coelicolor Taxonomy ID: 1902 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomyces coelicolor
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pETite_SUMO_ScLPMO10C
Entity Sequences (FASTA):
N-ScLPMO10C: HGVAMMPGSRTYLCQLDAKT
GTGALDPTNPACQAALDQSG
ATALYNWFAVLDSNAGGRGA
GYVPDGTLCSAGDRSPYDFS
AYNAARSDWPRTHLTSGATI
PVEYSNWAAHPGDFRVYLTK
PGWSPTSELGWDDLELIQTV
TNPPQQGSPGTDGGHYYWDL
ALPSGRSGDALIFMQWVRSD
SQENFFSCSDVVFDGGNGEV
ScCBM2: MHTGSCMAVYSVENSWSGGF
QGSVEVMNHGTEPLNGWAVQ
WQPGGGTTLGGVWNGSLTSG
SDGTVTVRNVDHNRVVPPDG
SVTFGFTATSTGNDFPVDSI
GCVAPAHHHHHH
ScLPMO10C: HGVAMMPGSRTYLCQLDAKT
GTGALDPTNPACQAALDQSG
ATALYNWFAVLDSNAGGRGA
GYVPDGTLCSAGDRSPYDFS
AYNAARSDWPRTHLTSGATI
PVEYSNWAAHPGDFRVYLTK
PGWSPTSELGWDDLELIQTV
TNPPQQGSPGTDGGHYYWDL
ALPSGRSGDALIFMQWVRSD
SQENFFSCSDVVFDGGNGEV
TGIRGSGSTPDPDPTPTPTD
PTTPPTHTGSCMAVYSVENS
WSGGFQGSVEVMNHGTEPLN
GWAVQWQPGGGTTLGGVWNG
SLTSGSDGTVTVRNVDHNRV
VPPDGSVTFGFTATSTGNDF
PVDSIGCVAP
Data type | Count |
13C chemical shifts | 1272 |
15N chemical shifts | 543 |
1H chemical shifts | 1634 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | N-ScLPMO10C | 1 |
2 | ScCBM2 | 2 |
3 | ScLPMO10C | 3 |
Entity 1, N-ScLPMO10C 200 residues - Formula weight is not available
1 | HIS | GLY | VAL | ALA | MET | MET | PRO | GLY | SER | ARG | |
2 | THR | TYR | LEU | CYS | GLN | LEU | ASP | ALA | LYS | THR | |
3 | GLY | THR | GLY | ALA | LEU | ASP | PRO | THR | ASN | PRO | |
4 | ALA | CYS | GLN | ALA | ALA | LEU | ASP | GLN | SER | GLY | |
5 | ALA | THR | ALA | LEU | TYR | ASN | TRP | PHE | ALA | VAL | |
6 | LEU | ASP | SER | ASN | ALA | GLY | GLY | ARG | GLY | ALA | |
7 | GLY | TYR | VAL | PRO | ASP | GLY | THR | LEU | CYS | SER | |
8 | ALA | GLY | ASP | ARG | SER | PRO | TYR | ASP | PHE | SER | |
9 | ALA | TYR | ASN | ALA | ALA | ARG | SER | ASP | TRP | PRO | |
10 | ARG | THR | HIS | LEU | THR | SER | GLY | ALA | THR | ILE | |
11 | PRO | VAL | GLU | TYR | SER | ASN | TRP | ALA | ALA | HIS | |
12 | PRO | GLY | ASP | PHE | ARG | VAL | TYR | LEU | THR | LYS | |
13 | PRO | GLY | TRP | SER | PRO | THR | SER | GLU | LEU | GLY | |
14 | TRP | ASP | ASP | LEU | GLU | LEU | ILE | GLN | THR | VAL | |
15 | THR | ASN | PRO | PRO | GLN | GLN | GLY | SER | PRO | GLY | |
16 | THR | ASP | GLY | GLY | HIS | TYR | TYR | TRP | ASP | LEU | |
17 | ALA | LEU | PRO | SER | GLY | ARG | SER | GLY | ASP | ALA | |
18 | LEU | ILE | PHE | MET | GLN | TRP | VAL | ARG | SER | ASP | |
19 | SER | GLN | GLU | ASN | PHE | PHE | SER | CYS | SER | ASP | |
20 | VAL | VAL | PHE | ASP | GLY | GLY | ASN | GLY | GLU | VAL |
Entity 2, ScCBM2 112 residues - Formula weight is not available
1 | MET | HIS | THR | GLY | SER | CYS | MET | ALA | VAL | TYR | ||||
2 | SER | VAL | GLU | ASN | SER | TRP | SER | GLY | GLY | PHE | ||||
3 | GLN | GLY | SER | VAL | GLU | VAL | MET | ASN | HIS | GLY | ||||
4 | THR | GLU | PRO | LEU | ASN | GLY | TRP | ALA | VAL | GLN | ||||
5 | TRP | GLN | PRO | GLY | GLY | GLY | THR | THR | LEU | GLY | ||||
6 | GLY | VAL | TRP | ASN | GLY | SER | LEU | THR | SER | GLY | ||||
7 | SER | ASP | GLY | THR | VAL | THR | VAL | ARG | ASN | VAL | ||||
8 | ASP | HIS | ASN | ARG | VAL | VAL | PRO | PRO | ASP | GLY | ||||
9 | SER | VAL | THR | PHE | GLY | PHE | THR | ALA | THR | SER | ||||
10 | THR | GLY | ASN | ASP | PHE | PRO | VAL | ASP | SER | ILE | ||||
11 | GLY | CYS | VAL | ALA | PRO | ALA | HIS | HIS | HIS | HIS | ||||
12 | HIS | HIS |
Entity 3, ScLPMO10C 330 residues - Formula weight is not available
1 | HIS | GLY | VAL | ALA | MET | MET | PRO | GLY | SER | ARG | |
2 | THR | TYR | LEU | CYS | GLN | LEU | ASP | ALA | LYS | THR | |
3 | GLY | THR | GLY | ALA | LEU | ASP | PRO | THR | ASN | PRO | |
4 | ALA | CYS | GLN | ALA | ALA | LEU | ASP | GLN | SER | GLY | |
5 | ALA | THR | ALA | LEU | TYR | ASN | TRP | PHE | ALA | VAL | |
6 | LEU | ASP | SER | ASN | ALA | GLY | GLY | ARG | GLY | ALA | |
7 | GLY | TYR | VAL | PRO | ASP | GLY | THR | LEU | CYS | SER | |
8 | ALA | GLY | ASP | ARG | SER | PRO | TYR | ASP | PHE | SER | |
9 | ALA | TYR | ASN | ALA | ALA | ARG | SER | ASP | TRP | PRO | |
10 | ARG | THR | HIS | LEU | THR | SER | GLY | ALA | THR | ILE | |
11 | PRO | VAL | GLU | TYR | SER | ASN | TRP | ALA | ALA | HIS | |
12 | PRO | GLY | ASP | PHE | ARG | VAL | TYR | LEU | THR | LYS | |
13 | PRO | GLY | TRP | SER | PRO | THR | SER | GLU | LEU | GLY | |
14 | TRP | ASP | ASP | LEU | GLU | LEU | ILE | GLN | THR | VAL | |
15 | THR | ASN | PRO | PRO | GLN | GLN | GLY | SER | PRO | GLY | |
16 | THR | ASP | GLY | GLY | HIS | TYR | TYR | TRP | ASP | LEU | |
17 | ALA | LEU | PRO | SER | GLY | ARG | SER | GLY | ASP | ALA | |
18 | LEU | ILE | PHE | MET | GLN | TRP | VAL | ARG | SER | ASP | |
19 | SER | GLN | GLU | ASN | PHE | PHE | SER | CYS | SER | ASP | |
20 | VAL | VAL | PHE | ASP | GLY | GLY | ASN | GLY | GLU | VAL | |
21 | THR | GLY | ILE | ARG | GLY | SER | GLY | SER | THR | PRO | |
22 | ASP | PRO | ASP | PRO | THR | PRO | THR | PRO | THR | ASP | |
23 | PRO | THR | THR | PRO | PRO | THR | HIS | THR | GLY | SER | |
24 | CYS | MET | ALA | VAL | TYR | SER | VAL | GLU | ASN | SER | |
25 | TRP | SER | GLY | GLY | PHE | GLN | GLY | SER | VAL | GLU | |
26 | VAL | MET | ASN | HIS | GLY | THR | GLU | PRO | LEU | ASN | |
27 | GLY | TRP | ALA | VAL | GLN | TRP | GLN | PRO | GLY | GLY | |
28 | GLY | THR | THR | LEU | GLY | GLY | VAL | TRP | ASN | GLY | |
29 | SER | LEU | THR | SER | GLY | SER | ASP | GLY | THR | VAL | |
30 | THR | VAL | ARG | ASN | VAL | ASP | HIS | ASN | ARG | VAL | |
31 | VAL | PRO | PRO | ASP | GLY | SER | VAL | THR | PHE | GLY | |
32 | PHE | THR | ALA | THR | SER | THR | GLY | ASN | ASP | PHE | |
33 | PRO | VAL | ASP | SER | ILE | GLY | CYS | VAL | ALA | PRO |
15N-CBM2: potassium phosphate 25 mM; sodium chloride 25 mM; ScCBM2, [U-98% 15N], 0.5 mM
15N-CelS2: potassium phosphate 25 mM; sodium chloride 10 mM; N-ScLPMO10C, [U-98% 15N], 0.5 mM
15N-ScLPMO10C: potassium phosphate 25 mM; sodium chloride 10 mM; ScLPMO10C, [U-98% 15N], 0.2 mM
13C15N-CBM2: potassium phosphate 25 mM; sodium chloride 25 mM; ScCBM2, [U-98% 13C; U-98% 15N], 0.5 mM
13C15N-CelS2: potassium phosphate 25 mM; sodium chloride 10 mM; N-ScLPMO10C, [U-98% 13C; U-98% 15N], 0.5 mM
13C15N-ScLPMO10C: potassium phosphate 25 mM; sodium chloride 10 mM; ScLPMO10C, [U-98% 13C; U-98% 15N], 0.3 mM
13C15N-CBM2_D2O: potassium phosphate 25 mM; sodium chloride 25 mM; ScCBM2, [U-98% 13C; U-98% 15N], 0.5 mM
sample_conditions_CelS2: ionic strength: 35 mM; pH: 5.5; pressure: 1 atm; temperature: 298 K
sample_conditions_CBM2: ionic strength: 50 mM; pH: 5.5; pressure: 1 atm; temperature: 298 K
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | 15N-CBM2 | isotropic | sample_conditions_CBM2 |
2D 1H-13C HSQC aliphatic | 13C15N-CBM2 | isotropic | sample_conditions_CBM2 |
2D 1H-13C HSQC aromatic | 13C15N-CBM2_D2O | isotropic | sample_conditions_CBM2 |
3D HNHA | 15N-CBM2 | isotropic | sample_conditions_CBM2 |
3D HNCO | 13C15N-CBM2 | isotropic | sample_conditions_CBM2 |
3D HN(CA)CO | 13C15N-CBM2 | isotropic | sample_conditions_CBM2 |
3D HNCA | 13C15N-CBM2 | isotropic | sample_conditions_CBM2 |
3D HN(CO)CACB | 13C15N-CBM2 | isotropic | sample_conditions_CBM2 |
3D HCCH-TOCSY | 13C15N-CBM2 | isotropic | sample_conditions_CBM2 |
2D CACO | 13C15N-CBM2_D2O | isotropic | sample_conditions_CBM2 |
2D CON | 13C15N-CBM2_D2O | isotropic | sample_conditions_CBM2 |
3D 1H-15N NOESY | 15N-CBM2 | isotropic | sample_conditions_CBM2 |
3D 1H-13C NOESY aliphatic | 13C15N-CBM2_D2O | isotropic | sample_conditions_CBM2 |
3D 1H-13C NOESY aromatic | 13C15N-CBM2_D2O | isotropic | sample_conditions_CBM2 |
2D 1H-15N HSQC | 15N-CelS2 | isotropic | sample_conditions_CelS2 |
2D 1H-13C HSQC aliphatic | 13C15N-CelS2 | isotropic | sample_conditions_CelS2 |
3D HNCA | 13C15N-CelS2 | isotropic | sample_conditions_CelS2 |
3D HN(CO)CA | 13C15N-CelS2 | isotropic | sample_conditions_CelS2 |
3D HNCO | 13C15N-CelS2 | isotropic | sample_conditions_CelS2 |
3D HN(CA)CO | 13C15N-CelS2 | isotropic | sample_conditions_CelS2 |
3D CBCANH | 13C15N-CelS2 | isotropic | sample_conditions_CelS2 |
3D HBHA(CO)NH | 13C15N-CelS2 | isotropic | sample_conditions_CelS2 |
3D HCCH-TOCSY | 13C15N-CelS2 | isotropic | sample_conditions_CelS2 |
3D 1H-13C NOESY aliphatic | 13C15N-CelS2 | isotropic | sample_conditions_CelS2 |
3D CBCA(CO)NH | 13C15N-CelS2 | isotropic | sample_conditions_CelS2 |
2D 1H-15N HSQC | 15N-ScLPMO10C | isotropic | sample_conditions_CelS2 |
3D HNCO | 13C15N-ScLPMO10C | isotropic | sample_conditions_CelS2 |
3D HN(CA)CO | 13C15N-ScLPMO10C | isotropic | sample_conditions_CelS2 |
3D HNCA | 13C15N-ScLPMO10C | isotropic | sample_conditions_CelS2 |
3D CBCA(CO)NH | 13C15N-ScLPMO10C | isotropic | sample_conditions_CelS2 |
3D CBCANH | 13C15N-ScLPMO10C | isotropic | sample_conditions_CelS2 |
TopSpin v3.5, Bruker Biospin - collection, processing
CARA v1.5/1.8, Keller and Wuthrich - chemical shift assignment
MddNMR v2.0, Orekhov, Jaravine, Mayzel and Kazimierczuk - processing
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks