BMRBj - BMREntryMaster

Found 1 Document (1.269 seconds)

BMRB: 4363

NMR Structure of the Sea Urchin (Strongylocentrotus purpuratus) Metallothionein MTA

Authors

Riek, R., Precheur, B., Wang, Y., Mackay, E.A., Wider, G., Guntert, P., Liu, A., Kaegi, J.H.R., Wuthrich, K.

Assembly

Metallothionein MTA

Entity

1. Metallothionein MTA (polymer), 63 monomers, 6257.250 Da Detail

PDVKCVCCTE GKECACFGQD CCVTGECCKD GTCCGICTNA ACKCANGCKC GSGCSCTEGN CAC

2. CD (non-polymer), 112.411 × 7 Da

Total weight

7044.127 Da

Max. entity weight

6257.25 Da

Source organism

Strongylocentrotus purpuratus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 98.4 %, Completeness: 94.7 %, Completeness (bb): 98.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	94.7 % (284 of 300)	94.7 % (284 of 300)
Backbone	98.5 % (132 of 134)	98.5 % (132 of 134)
Sidechain	91.6 % (152 of 166)	91.6 % (152 of 166)
Aromatic	80.0 % (4 of 5)	80.0 % (4 of 5)
Methyl	100.0 % (18 of 18)	100.0 % (18 of 18)

1. Metallothionein MTA

PDVKCVCCTE GKECACFGQD CCVTGECCKD GTCCGICTNA ACKCANGCKC GSGCSCTEGN CAC

Show sample condition

Sample

Temperature 288 (±0.2) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Metallothionein MTA	[U-113Cd]		4 mM

Chem. Shift Complete2

Sequence coverage: 1.6 %, Completeness: 47.5 %, Completeness (bb): 49.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	47.5 % (285 of 600)	47.5 % (285 of 600)
Backbone	49.6 % (133 of 268)	49.6 % (133 of 268)
Sidechain	45.8 % (152 of 332)	45.8 % (152 of 332)
Aromatic	40.0 % (4 of 10)	40.0 % (4 of 10)
Methyl	50.0 % (18 of 36)	50.0 % (18 of 36)

1. Metallothionein MTA

PDVKCVCCTE GKECACFGQD CCVTGECCKD GTCCGICTNA ACKCANGCKC GSGCSCTEGN CAC

Show sample condition

Sample

Temperature 288 (±0.2) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Metallothionein MTA	[U-113Cd]		4 mM

Chem. Shift Complete3

Sequence coverage: 7.9 %, Completeness: 33.8 %, Completeness (bb): 35.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	33.8 % (304 of 900)	33.8 % (304 of 900)
Backbone	35.6 % (143 of 402)	35.6 % (143 of 402)
Sidechain	32.3 % (161 of 498)	32.3 % (161 of 498)
Aromatic	26.7 % (4 of 15)	26.7 % (4 of 15)
Methyl	33.3 % (18 of 54)	33.3 % (18 of 54)

1. Metallothionein MTA

PDVKCVCCTE GKECACFGQD CCVTGECCKD GTCCGICTNA ACKCANGCKC GSGCSCTEGN CAC

Show sample condition

Sample

Temperature 288 (±0.2) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Metallothionein MTA	[U-113Cd]		4 mM

Chem. Shift Complete4

Sequence coverage: 11.1 %, Completeness: 26.8 %, Completeness (bb): 28.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	26.8 % (321 of 1200)	26.8 % (321 of 1200)
Backbone	28.5 % (153 of 536)	28.5 % (153 of 536)
Sidechain	25.3 % (168 of 664)	25.3 % (168 of 664)
Aromatic	20.0 % (4 of 20)	20.0 % (4 of 20)
Methyl	25.0 % (18 of 72)	25.0 % (18 of 72)

1. Metallothionein MTA

PDVKCVCCTE GKECACFGQD CCVTGECCKD GTCCGICTNA ACKCANGCKC GSGCSCTEGN CAC

Show sample condition

Sample

Temperature 288 (±0.2) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Metallothionein MTA	[U-113Cd]		4 mM

Chem. Shift Complete5

Sequence coverage: 7.9 %, Completeness: 22.3 %, Completeness (bb): 24.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	22.3 % (335 of 1500)	22.3 % (335 of 1500)
Backbone	24.3 % (163 of 670)	24.3 % (163 of 670)
Sidechain	20.7 % (172 of 830)	20.7 % (172 of 830)
Aromatic	16.0 % (4 of 25)	16.0 % (4 of 25)
Methyl	21.1 % (19 of 90)	21.1 % (19 of 90)

1. Metallothionein MTA

PDVKCVCCTE GKECACFGQD CCVTGECCKD GTCCGICTNA ACKCANGCKC GSGCSCTEGN CAC

Show sample condition

Sample

Temperature 288 (±0.2) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Metallothionein MTA	[U-113Cd]		4 mM

Chem. Shift Complete6

Sequence coverage: 7.9 %, Completeness: 19.5 %, Completeness (bb): 21.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	19.5 % (351 of 1800)	19.5 % (351 of 1800)
Backbone	21.3 % (171 of 804)	21.3 % (171 of 804)
Sidechain	18.1 % (180 of 996)	18.1 % (180 of 996)
Aromatic	13.3 % (4 of 30)	13.3 % (4 of 30)
Methyl	17.6 % (19 of 108)	17.6 % (19 of 108)

1. Metallothionein MTA

PDVKCVCCTE GKECACFGQD CCVTGECCKD GTCCGICTNA ACKCANGCKC GSGCSCTEGN CAC

Show sample condition

Sample

Temperature 288 (±0.2) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Metallothionein MTA	[U-113Cd]		4 mM

Chem. Shift Complete7

Sequence coverage: 6.3 %, Completeness: 17.2 %, Completeness (bb): 18.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	17.2 % (361 of 2100)	17.2 % (361 of 2100)
Backbone	18.9 % (177 of 938)	18.9 % (177 of 938)
Sidechain	15.8 % (184 of 1162)	15.8 % (184 of 1162)
Aromatic	11.4 % (4 of 35)	11.4 % (4 of 35)
Methyl	15.1 % (19 of 126)	15.1 % (19 of 126)

1. Metallothionein MTA

PDVKCVCCTE GKECACFGQD CCVTGECCKD GTCCGICTNA ACKCANGCKC GSGCSCTEGN CAC

Show sample condition

Sample

Temperature 288 (±0.2) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Metallothionein MTA	[U-113Cd]		4 mM

Chem. Shift Complete8

Sequence coverage: 17.5 %, Completeness: 16.8 %, Completeness (bb): 18.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	16.8 % (402 of 2400)	16.8 % (402 of 2400)
Backbone	18.5 % (198 of 1072)	18.5 % (198 of 1072)
Sidechain	15.4 % (204 of 1328)	15.4 % (204 of 1328)
Aromatic	10.0 % (4 of 40)	10.0 % (4 of 40)
Methyl	13.9 % (20 of 144)	13.9 % (20 of 144)

1. Metallothionein MTA

PDVKCVCCTE GKECACFGQD CCVTGECCKD GTCCGICTNA ACKCANGCKC GSGCSCTEGN CAC

Show sample condition

Sample

Temperature 288 (±0.2) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Metallothionein MTA	[U-113Cd]		4 mM

Release date

1999-10-07

Citation

NMR structure of the sea urchin (Strongylocentrotus purpuratus) metallothionein MTA
Riek, R., Precheur, B., Wang, Y., Mackay, E.A., Wider, G., Guntert, P., Liu, A., Kaegi, J.H.R., Wuthrich, K.
J. Mol. Biol. (1999), 291, 417-428, PubMed 10438629 , DOI 10.1006/jmbi.1999.2967 , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: P04734 released on 1987-08-13
Title MTA_STRPU Entity Metallothionein-A

Related entities 1. Metallothionein MTA, : 1 : 6 entities Detail

Experiments performed 1 experiments Detail

Chemical shift validation 11 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4363_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

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
2	1	CD	CADMIUM ION	Assigned chemical shifts

Content subtype: bmr4363_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	321	98.4 (chain: 1, length: 63)
2	Assigned chemical shifts	CDII-1_shift	Warning	1	100.0 (chain: 2, length: 1)
3	Assigned chemical shifts	CDII-2_shift	Warning	1	100.0 (chain: 2, length: 1)
4	Assigned chemical shifts	CDII-3_shift	Warning	1	100.0 (chain: 2, length: 1)
5	Assigned chemical shifts	CDII-4_shift	Warning	1	100.0 (chain: 2, length: 1)
6	Assigned chemical shifts	CDII-5_shift	Warning	1	100.0 (chain: 2, length: 1)
7	Assigned chemical shifts	CDII-6_shift	Warning	1	100.0 (chain: 2, length: 1)
8	Assigned chemical shifts	CDII-7_shift	Warning	1	100.0 (chain: 2, length: 1)
1	Chemical shift references	chemical_shift_reference	OK	1	No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 63, Sequence coverage: 98.4%
- Total number of assignments
  - ¹H chemical shifts: 321
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: CDII-1_shift
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 1, Sequence coverage: 100.0%
- Completeness of assignments
  - Entity_assemble_ID: 2
Saveframe: CDII-2_shift
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 1, Sequence coverage: 100.0%
- Completeness of assignments
  - Entity_assemble_ID: 2
Saveframe: CDII-3_shift
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 1, Sequence coverage: 100.0%
- Completeness of assignments
  - Entity_assemble_ID: 2
Saveframe: CDII-4_shift
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 1, Sequence coverage: 100.0%
- Completeness of assignments
  - Entity_assemble_ID: 2
Saveframe: CDII-5_shift
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 1, Sequence coverage: 100.0%
- Completeness of assignments
  - Entity_assemble_ID: 2
Saveframe: CDII-6_shift
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 1, Sequence coverage: 100.0%
- Completeness of assignments
  - Entity_assemble_ID: 2
Saveframe: CDII-7_shift
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 1, Sequence coverage: 100.0%
- Completeness of assignments
  - Entity_assemble_ID: 2

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Found 1 Document (1.269 seconds)

BMRB: 4363

Sample

Sample

Sample

Sample

Sample

Sample

Sample

Sample

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. Metallothionein MTA, : 1 : 6 entities Detail

Experiments performed 1 experiments Detail

Instrument

Sample

Chemical shift validation 11 contents Detail