BMRB Entry 34399

Name: Extremely stable monomeric variant of human cystatin C with single amino acid substitution
Published: 2019-10-16

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PDB ID: 6rpv
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34399
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Extremely stable monomeric variant of human cystatin C with single amino acid substitution

Deposition date:

2019-05-14

Original release date:

2019-10-16

Authors:

Zhukov, I.; Rodziewicz-Motowidlo, S.; Maszota-Zieleniak, M.; Jurczak, P.; Kozak, M.

Citation:

Citation: Maszota-Zieleniak, M.; Jurczak, P.; Orlikowska, M.; Zhukov, I.; Borek, D.; Otwinowski, Z.; Skowron, P.; Pietralik, Z.; Kozak, M.; Szymanska, A.; Rodziewicz-Motowidlo, S.. "NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution." FEBS J. 287, 361-376 (2020).
PubMed: 31330077

Assembly members:

Assembly members:
entity_1, polymer, 120 residues, 13323.062 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SSPGKPPRLVGGPMDASVEE EGVRRALDFAVGEYNKASND MYHSRALQVVRARKQIGAGV NYFLDVELGRTTCTKTQPNL DNCPFHDQPHLKRKAFCSFQ IYAVPWQGTMTLSKSTCQDA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	449
15N chemical shifts	99
1H chemical shifts	712

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 120 residues - 13323.062 Da.

1	SER	SER	PRO	GLY	LYS	PRO	PRO	ARG	LEU	VAL
2	GLY	GLY	PRO	MET	ASP	ALA	SER	VAL	GLU	GLU
3	GLU	GLY	VAL	ARG	ARG	ALA	LEU	ASP	PHE	ALA
4	VAL	GLY	GLU	TYR	ASN	LYS	ALA	SER	ASN	ASP
5	MET	TYR	HIS	SER	ARG	ALA	LEU	GLN	VAL	VAL
6	ARG	ALA	ARG	LYS	GLN	ILE	GLY	ALA	GLY	VAL
7	ASN	TYR	PHE	LEU	ASP	VAL	GLU	LEU	GLY	ARG
8	THR	THR	CYS	THR	LYS	THR	GLN	PRO	ASN	LEU
9	ASP	ASN	CYS	PRO	PHE	HIS	ASP	GLN	PRO	HIS
10	LEU	LYS	ARG	LYS	ALA	PHE	CYS	SER	PHE	GLN
11	ILE	TYR	ALA	VAL	PRO	TRP	GLN	GLY	THR	MET
12	THR	LEU	SER	LYS	SER	THR	CYS	GLN	ASP	ALA

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

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

BMRB Entry 34399

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	SER	SER	PRO	GLY	LYS	PRO	PRO	ARG	LEU	VAL
2	GLY	GLY	PRO	MET	ASP	ALA	SER	VAL	GLU	GLU
3	GLU	GLY	VAL	ARG	ARG	ALA	LEU	ASP	PHE	ALA
4	VAL	GLY	GLU	TYR	ASN	LYS	ALA	SER	ASN	ASP
5	MET	TYR	HIS	SER	ARG	ALA	LEU	GLN	VAL	VAL
6	ARG	ALA	ARG	LYS	GLN	ILE	GLY	ALA	GLY	VAL
7	ASN	TYR	PHE	LEU	ASP	VAL	GLU	LEU	GLY	ARG
8	THR	THR	CYS	THR	LYS	THR	GLN	PRO	ASN	LEU
9	ASP	ASN	CYS	PRO	PHE	HIS	ASP	GLN	PRO	HIS
10	LEU	LYS	ARG	LYS	ALA	PHE	CYS	SER	PHE	GLN
11	ILE	TYR	ALA	VAL	PRO	TRP	GLN	GLY	THR	MET
12	THR	LEU	SER	LYS	SER	THR	CYS	GLN	ASP	ALA

1	SER	SER	PRO	GLY	LYS	PRO	PRO	ARG	LEU	VAL
2	GLY	GLY	PRO	MET	ASP	ALA	SER	VAL	GLU	GLU
3	GLU	GLY	VAL	ARG	ARG	ALA	LEU	ASP	PHE	ALA
4	VAL	GLY	GLU	TYR	ASN	LYS	ALA	SER	ASN	ASP
5	MET	TYR	HIS	SER	ARG	ALA	LEU	GLN	VAL	VAL
6	ARG	ALA	ARG	LYS	GLN	ILE	GLY	ALA	GLY	VAL
7	ASN	TYR	PHE	LEU	ASP	VAL	GLU	LEU	GLY	ARG
8	THR	THR	CYS	THR	LYS	THR	GLN	PRO	ASN	LEU
9	ASP	ASN	CYS	PRO	PHE	HIS	ASP	GLN	PRO	HIS
10	LEU	LYS	ARG	LYS	ALA	PHE	CYS	SER	PHE	GLN
11	ILE	TYR	ALA	VAL	PRO	TRP	GLN	GLY	THR	MET
12	THR	LEU	SER	LYS	SER	THR	CYS	GLN	ASP	ALA

1	SER	SER	PRO	GLY	LYS	PRO	PRO	ARG	LEU	VAL
2	GLY	GLY	PRO	MET	ASP	ALA	SER	VAL	GLU	GLU
3	GLU	GLY	VAL	ARG	ARG	ALA	LEU	ASP	PHE	ALA
4	VAL	GLY	GLU	TYR	ASN	LYS	ALA	SER	ASN	ASP
5	MET	TYR	HIS	SER	ARG	ALA	LEU	GLN	VAL	VAL
6	ARG	ALA	ARG	LYS	GLN	ILE	GLY	ALA	GLY	VAL
7	ASN	TYR	PHE	LEU	ASP	VAL	GLU	LEU	GLY	ARG
8	THR	THR	CYS	THR	LYS	THR	GLN	PRO	ASN	LEU
9	ASP	ASN	CYS	PRO	PHE	HIS	ASP	GLN	PRO	HIS
10	LEU	LYS	ARG	LYS	ALA	PHE	CYS	SER	PHE	GLN
11	ILE	TYR	ALA	VAL	PRO	TRP	GLN	GLY	THR	MET
12	THR	LEU	SER	LYS	SER	THR	CYS	GLN	ASP	ALA