BMRB Entry 27078

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PDB ID: 6f7e
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

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: 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 PubMed: 28822070

Deposition date: 2017-04-19 Original release date: 2017-09-15

Authors: Courtade, Gaston; Forsberg, Zarah; Vaaje-Kolstad, Gustav; Eijsink, Vincent; Aachmann, Finn

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).

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

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 sets:

assigned_chemical_shifts

Data type	Count
13C chemical shifts	1573
15N chemical shifts	463
1H chemical shifts	1561

Additional metadata:

Assembly
Samples and Experiments
Software
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	N-ScLPMO10C	1
2	ScCBM2	2
3	ScLPMO10C	3

Entities:

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

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

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

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

12

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

Samples:

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

15N-CBM2: potassium phosphate 25 mM; sodium chloride 25 mM; ScCBM2, [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

Experiments:

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

PDB	4OY7
UNP	Q9RJY2 Q9RJY2

Biological Magnetic Resonance Data Bank