BMRB Entry 5165

Name: Solution Structure of Methanobacterium Thermoautotrophicum Protein 1598
Published: 2002-05-06

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PDB ID: 1jw3
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5165
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:

Solution Structure of Methanobacterium Thermoautotrophicum Protein 1598

Deposition date:

2001-10-09

Original release date:

2002-05-06

Authors:

Yee, A.; Chang, X.; Pineda-Lucena, A.; Wu, B.; Semesi, A.; Le, B.; Ramelot, T.; Lee, G.; Bhattacharyya, S.; Gutierrez, P.; Denisov, A.; Lee, C.; Cort, J.; Kozlov, G.; Liao, J.; Finak, G.; Chen, L.; Wishart, D.; Lee, W.; McIntosh, L.; Gehring, K.; Kennedy, M.; Edwards, A.; Arrowsmith, C.

Citation:

Citation: Yee, A.; Chang, X.; Pineda-Lucena, A.; Wu, B.; Semesi, A.; Le, B.; Ramelot, T.; Lee, G.; Bhattacharyya, S.; Gutierrez, P.; Denisov, A.; Lee, C.; Cort, J.; Kozlov, G.; Liao, J.; Finak, G.; Chen, L.; Wishart, D.; Lee, W.; McIntosh, L.; Gehring, K.; Kennedy, M.; Edwards, A.; Arrowsmith, C.. "An NMR Approach to Structural Proteomics" Proc. Natl. Acad. Sci. U.S.A. 99, 1825-1830 (2002).
PubMed: 11854485

Assembly members:

Assembly members:
single chain biopolymer, polymer, 140 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Methanothermobacter thermoautotrophicus Taxonomy ID: 145262 Superkingdom: Archaea Kingdom: Euryarchaeota Genus/species: Methanobacterium thermoautotrophicum

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
single chain biopolymer: MKGFEFFDVTADAGFWAYGH DLEEVFENAALAMFEVMTDT SLVEAAEERRVEITSEDRVS LLYDWLDELLFIHDTEFILF SKFKVKIDEKDDGLHLTGTA MGEEIKEGHERRDEVKAVTF HMMEILDEDGLIKARVILDL

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	903
13C chemical shifts	585
15N chemical shifts	141

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Conserved Hypothetical Protein MTH1598	1

Entities:

Entity 1, Conserved Hypothetical Protein MTH1598 140 residues - Formula weight is not available

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

Samples:

sample_1: single chain biopolymer, [U-15N; U-13C], 2 mM; NaCl 300 mM; phosphate 10 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 6.5 na; temperature: 298 K; ionic strength: 300 mM; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
4D 13C-separated NOESY	not available	not available	not available
3D 13C-separated NOESY	not available	not available	not available
3D 15N-separated NOESY	not available	not available	not available

Software:

NMRPipe v2000.02.14 - processing

Sparky v3.95 - data analysis

CNS v1.0 - structure solution

NMR spectrometers:

Varian INOVA 500 MHz

PDB	1JW3
DBJ	BAM70705
GB	AAB86071
REF	NP_276710 WP_010877206
SP	O27635
AlphaFold	O27635

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

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