BMRBj - BMREntryMaster

Found 1 Document (1.109 seconds)

BMRB: 5704

1PU1

1H, 13C, and 15N assignment of mth677 protein from Methanobacterium Thermoautotrophicum

Authors

Blanco, F.J., Campos-Olivas, R., Yee, A., Arrowsmith, C.H., Rico, M.

Assembly

mth677

Entity

1. mth677 (polymer, Thiol state: not present), 94 monomers, 10524.56 Da Detail

GSHMSLRKLT EGDLDEISSF LHNTISDFIL KRVSAKEIVD IDITVLVEYT DELKVDISAE LYLDELSDAD PGIVDEAVDA AYRSLESFLD GFRE

Formula weight

10524.56 Da

Source organism

Methanothermobacter thermautotrophicus str. Delta H

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 91.7 %, Completeness (bb): 96.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.7 % (973 of 1061)	89.5 % (484 of 541)	93.9 % (400 of 426)	94.7 % (89 of 94)
Backbone	96.1 % (540 of 562)	95.3 % (182 of 191)	97.1 % (270 of 278)	94.6 % (88 of 93)
Sidechain	87.3 % (514 of 589)	85.1 % (298 of 350)	90.3 % (215 of 238)	100.0 % (1 of 1)
Aromatic	61.1 % (44 of 72)	66.7 % (24 of 36)	55.6 % (20 of 36)
Methyl	99.2 % (127 of 128)	100.0 % (64 of 64)	98.4 % (63 of 64)

1. mth677

GSHMSLRKLT EGDLDEISSF LHNTISDFIL KRVSAKEIVD IDITVLVEYT DELKVDISAE LYLDELSDAD PGIVDEAVDA AYRSLESFLD GFRE

Show sample condition

Sample #1

Temperature 298 (±0.1) K, Details Uniformly 15N enrichment, and with protease inhibitor mixture.

#	Name	Isotope labeling	Concentration
1	mth677	[U-15N]	1.2 mM
2	Sodium phosphate		25 mM
3	Sodim chloride		450 mM
4	DTT		10 mM
5	benzamidine		1 mM
6	H2O		90 % v/v
7	D2O		10 % v/v
8	Zinc chloride		20 uM

Sample #2

Temperature 298 (±0.1) K, Details Uniformly 15N and 13C enrichment, and with protease inhibitor mixture.

#	Name	Isotope labeling	Concentration
9	mth677	[U-15N; U-13C]	1 mM
10	Sodium phosphate		25 mM
11	Sodim chloride		450 mM
12	DTT		10 mM
13	benzamidine		1 mM
14	H2O		90 % v/v
15	D2O		10 % v/v
16	Zinc chloride		20 uM

Sample #3

Temperature 298 (±0.1) K, Details Uniformly 15N and 13C enrichment, and with protease inhibitor mixture.

#	Name	Isotope labeling	Concentration
17	mth677	[U-15N; U-13C]	1 mM
18	Sodium phosphate		25 mM
19	Sodim chloride		450 mM
20	DTT		10 mM
21	benzamidine		1 mM
22	D2O		100 % v/v
23	Zinc chloride		20 uM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹⁵C	TSP	methyl protons	internal	indirect	0.1013291
¹H	TSP	methyl protons	internal	direct	1.0
¹³N	TSP	methyl protons	internal	indirect	0.2514495

Referencing offset: -0.43 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹⁵C	TSP	methyl protons	internal	indirect	0.1013291
¹H	TSP	methyl protons	internal	direct	1.0
¹³N	TSP	methyl protons	internal	indirect	0.2514495

Referencing offset: -0.43 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹⁵C	TSP	methyl protons	internal	indirect	0.1013291
¹H	TSP	methyl protons	internal	direct	1.0
¹³N	TSP	methyl protons	internal	indirect	0.2514495

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹⁵C	TSP	methyl protons	internal	indirect	0.1013291
¹H	TSP	methyl protons	internal	direct	1.0
¹³N	TSP	methyl protons	internal	indirect	0.2514495

Referencing offset: 2.81 ppm, Outliers: 1 Detail

Release date

2003-06-08

Citation

1H, 15N and 13C resonance assignment of the hypothetical protein mth677from Mthanobacterium thermoautotrophicum
Blanco, F.J., Campos-Olivas, R., Yee, A., Arrowsmith, C.H., Rico, M.

Related entities 1. mth677, : 1 : 1 : 7 entities Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5704_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr5704_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts	Warning	1124		100.0 (chain: 1, length: 94)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 94, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 414
  - ¹H chemical shifts: 617
  - ¹⁵N chemical shifts: 93
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
7	ARG	CZ	156.738
23	ASN	CG	174.227
32	ARG	CZ	156.489
82	TYR	CZ	157.091
83	ARG	CZ	157.091
93	ARG	CZ	156.841

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	65	65	100.0
¹H chemical shifts	65	65	100.0

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Found 1 Document (1.109 seconds)

BMRB: 5704

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. mth677, : 1 : 1 : 7 entities Detail

Chemical shift validation 3 contents Detail

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	426	408	95.8
¹H chemical shifts	541	487	90.0
¹⁵N chemical shifts	98	93	94.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	188	186	98.9
¹H chemical shifts	191	187	97.9
¹⁵N chemical shifts	93	88	94.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	238	222	93.3
¹H chemical shifts	350	300	85.7
¹⁵N chemical shifts	5	5	100.0