BMRB Entry 2070

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR2070

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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:

Characterization of Phosphate Binding in the Active Site of Barnase by Site-Directed Mutagenesis and NMR

Deposition date:

1995-07-31

Original release date:

1995-07-31

Authors:

Meiering, Elizabeth; Bycroft, Mark; Fersht, Alan

Citation:

Citation: Meiering, Elizabeth; Bycroft, Mark; Fersht, Alan. "Characterization of Phosphate Binding in the Active Site of Barnase by Site-Directed Mutagenesis and NMR" Biochemistry 30, 11348-11356 (1991).

Assembly members:

Assembly members:
barnase, polymer, 110 residues, Formula weight is not available

Natural source:

Natural source: Common Name: not available Taxonomy ID: 1390 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus amyloliquefaciens

Experimental source:

Experimental source: Production method: not available

Entity Sequences (FASTA):

Entity Sequences (FASTA):
barnase: AQVINTFDGVADYLQTYHKL PDNYITKSEAQALGWVASKG NLADVAPGKSIGGDIFSNRE GKLPGKSGRTWREADINYTS GFRNSDRILYSSDWLIYKTT DHYQTFTKIR

Data sets:

assigned_chemical_shifts
- chemical_shift_assignment_data_set_one

Data type	Count
1H chemical shifts	82

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	barnase	1

Entities:

Entity 1, barnase 110 residues - Formula weight is not available

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

Samples:

sample_one:

sample_condition_set_one: pH: 4.5 na; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
not available	sample_one	not available	sample_condition_set_one

Software:

No software information available

NMR spectrometers:

unknown unknown 0 MHz

BMRB	16169 16170 16171 16172 2066 2067
PDB	1A2P 1B20 1B21 1B27 1B2S 1B2U 1B2X 1B2Z 1B3S 1BAN 1BAO 1BGS 1BNE 1BNF 1BNG 1BNI 1BNJ 1BNR 1BNS 1BRG 1BRH 1BRI 1BRJ 1BRK 1BRN 1BRS 1BSA 1BSB 1BSC 1BSD 1BSE 1FW7 1RNB 1X1U 1X1W 1X1X 1X1Y 1YVS 2C4B 2F4Y 2F56 2F5M 2F5W 2KF3 2KF4 2KF5 2KF6 2ZA4 3KCH
EMBL	CAA31365 CBI44445 CCF06756 CCG51396 CDG27389
GB	AAA86441 AAB28825 AAB29635 AAC53661 AAP41137
PRF	1204204A 2004243A 721946A
REF	WP_003151497 WP_007407419 WP_013353722 WP_015387655 WP_016937826
SP	P00648 P35078
AlphaFold	P00648 P35078

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

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