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Found 1 Document (1.227 seconds)

BMRB: 4109

1HNG

Sequence Specific 1H, 13C and 15N Resonance Assignment of Rat CD2 Domain 1

Authors

Chen, H.A., Pfuhl, M., Davis, B., Driscoll, P.C.

Assembly

rat CD2 domain 1

Entity

1. rat CD2 domain 1 (polymer), 100 monomers, 11273.72 Da Detail

MRDSGTVWGA LGHGINLNIP NFQMTDDIDE VRWERGSTLV AEFKRKMKPF LKSGAFEILA NGDLKIKNLT RDDSGTYNVT VYSTNGTRIL NKALDLRILE

Formula weight

11273.72 Da

Source organism

Rattus rattus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 82.3 %, Completeness (bb): 86.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.3 % (964 of 1172)	86.5 % (527 of 609)	74.0 % (336 of 454)	92.7 % (101 of 109)
Backbone	86.7 % (517 of 596)	97.1 % (201 of 207)	75.6 % (220 of 291)	98.0 % (96 of 98)
Sidechain	79.9 % (533 of 667)	81.1 % (326 of 402)	79.5 % (202 of 254)	45.5 % (5 of 11)
Aromatic	17.9 % (15 of 84)	26.2 % (11 of 42)	7.5 % (3 of 40)	50.0 % (1 of 2)
Methyl	97.5 % (115 of 118)	98.3 % (58 of 59)	96.6 % (57 of 59)

1. rat CD2 domain 1

MRDSGTVWGA LGHGINLNIP NFQMTDDIDE VRWERGSTLV AEFKRKMKPF LKSGAFEILA NGDLKIKNLT RDDSGTYNVT VYSTNGTRIL NKALDLRILE

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 3.0 (±0.03)

#	Name	Isotope labeling	Type	Concentration
1	rat CD2 domain 1	[U96%-13C;U96%-15N]		1.2 mM
2	phosphate buffer			20 mM

Chem. Shift Complete2

Sequence coverage: 99.0 %, Completeness: 89.0 %, Completeness (bb): 92.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.0 % (2085 of 2344)	91.5 % (1115 of 1218)	83.9 % (762 of 908)	95.4 % (208 of 218)
Backbone	92.4 % (1102 of 1192)	97.6 % (404 of 414)	86.9 % (506 of 582)	98.0 % (192 of 196)
Sidechain	86.7 % (1157 of 1334)	88.4 % (711 of 804)	84.6 % (430 of 508)	72.7 % (16 of 22)
Aromatic	44.0 % (74 of 168)	54.8 % (46 of 84)	31.3 % (25 of 80)	75.0 % (3 of 4)
Methyl	98.7 % (233 of 236)	99.2 % (117 of 118)	98.3 % (116 of 118)

1. rat CD2 domain 1

MRDSGTVWGA LGHGINLNIP NFQMTDDIDE VRWERGSTLV AEFKRKMKPF LKSGAFEILA NGDLKIKNLT RDDSGTYNVT VYSTNGTRIL NKALDLRILE

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 5.0 (±0.03)

#	Name	Isotope labeling	Type	Concentration
1	rat CD2 domain 1	[U96%-13C;U96%-15N]		1.2 mM
2	phosphate buffer			20 mM

Chem. Shift Complete3

Sequence coverage: 100.0 %, Completeness: 85.9 %, Completeness (bb): 89.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.9 % (3019 of 3516)	89.5 % (1636 of 1827)	79.4 % (1081 of 1362)	92.4 % (302 of 327)
Backbone	89.2 % (1595 of 1788)	96.9 % (602 of 621)	81.1 % (708 of 873)	96.9 % (285 of 294)
Sidechain	84.1 % (1683 of 2001)	85.7 % (1034 of 1206)	82.9 % (632 of 762)	51.5 % (17 of 33)
Aromatic	30.2 % (76 of 252)	38.1 % (48 of 126)	20.8 % (25 of 120)	50.0 % (3 of 6)
Methyl	99.2 % (351 of 354)	99.4 % (176 of 177)	98.9 % (175 of 177)

1. rat CD2 domain 1

MRDSGTVWGA LGHGINLNIP NFQMTDDIDE VRWERGSTLV AEFKRKMKPF LKSGAFEILA NGDLKIKNLT RDDSGTYNVT VYSTNGTRIL NKALDLRILE

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 7.5 (±0.03)

#	Name	Isotope labeling	Type	Concentration
1	rat CD2 domain 1	[U96%-13C;U96%-15N]		1.2 mM
2	phosphate buffer			20 mM

LACS Plot; CA

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

Referencing offset: 0.06 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.06 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.01 ppm, Outliers: 2 Detail

Release date

1999-02-01

Citation 1

Sequence Specific 1H, 13C and 15N Resonance Assignment of Rat CD2 Domain 1
Chen, H.A., Pfuhl, M., Davis, B., Driscoll, P.C.
J. Biomol. NMR (1998), 12, 457-458, PubMed , DOI:

Show more 1 citaion

Citation 2

NMRPipe: a multidimensional spectral processing system based on UNIX pipes
Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A.
J. Biomol. NMR (1995), 6, 277-293, PubMed 8520220 , Abstract

Hide non-primary 1 citaion

Related entities 1. rat CD2 domain 1, : 1 : 1 : 29 entities Detail

Interaction partners 1. rat CD2 domain 1, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 10 experiments Detail

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4109_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: bmr4109_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	chemical_shift_assignment_one	Warning	1016	99.0 (chain: 1, length: 100)
2	Assigned chemical shifts	chemical_shift_assignment_two	Warning	1283	99.0 (chain: 1, length: 100)
3	Assigned chemical shifts	chemical_shift_assignment_three	Warning	979	99.0 (chain: 1, length: 100)
1	Chemical shift references	chemical_shift_reference_one	OK	3	No information

Assigned chemical shifts

Saveframe: chemical_shift_assignment_one

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: 1, Chain length: 100, Sequence coverage: 99.0%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MRDSGTVWGALGHGINLNIPNFQMTDDIDEVRWERGSTLVAEFKRKMKPFLKSGAFEILANGDLKIKNLTRDDSGTYNVTVYSTNGTRILNKALDLRILE
 |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
.RDSGTVWGALGHGINLNIPNFQMTDDIDEVRWERGSTLVAEFKRKMKPFLKSGAFEILANGDLKIKNLTRDDSGTYNVTVYSTNGTRILNKALDLRILE

Total number of assignments
- ¹⁵N chemical shifts: 97
- ¹H chemical shifts: 612
- ¹³C chemical shifts: 307

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
3	ASP	CG	177.331
16	ASN	CG	175.858
18	ASN	CG	176.074
21	ASN	CG	178.58
23	GLN	CD	180.614
26	ASP	CG	177.331
27	ASP	CG	177.7
29	ASP	CG	175.685
30	GLU	CD	178.069
34	GLU	CD	178.885
42	GLU	CD	178.111
57	GLU	CD	179.413
61	ASN	CG	176.177
63	ASP	CG	177.907
68	ASN	CG	176.53
72	ASP	CG	178.089
73	ASP	CG	175.389
78	ASN	CG	176.075
85	ASN	CG	177.453
91	ASN	CG	176.214
95	ASP	CG	176.525
100	GLU	CD	180.341

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	116	97	83.6
¹H chemical shifts	609	496	81.4
¹³C chemical shifts	454	285	62.8

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	98	97	99.0
¹H chemical shifts	207	199	96.1
¹³C chemical shifts	200	93	46.5

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	18	0	0.0
¹H chemical shifts	402	297	73.9
¹³C chemical shifts	254	192	75.6

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	62	58	93.5
¹³C chemical shifts	62	58	93.5

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	2	0	0.0
¹H chemical shifts	42	0	0.0
¹³C chemical shifts	40	0	0.0

Peptide bond of PRO
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

Saveframe: chemical_shift_assignment_two

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: 1, Chain length: 100, Sequence coverage: 99.0%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MRDSGTVWGALGHGINLNIPNFQMTDDIDEVRWERGSTLVAEFKRKMKPFLKSGAFEILANGDLKIKNLTRDDSGTYNVTVYSTNGTRILNKALDLRILE
 |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
.RDSGTVWGALGHGINLNIPNFQMTDDIDEVRWERGSTLVAEFKRKMKPFLKSGAFEILANGDLKIKNLTRDDSGTYNVTVYSTNGTRILNKALDLRILE

Total number of assignments
- ¹⁵N chemical shifts: 115
- ¹H chemical shifts: 710
- ¹³C chemical shifts: 458

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
2	ARG	CZ	157.792
3	ASP	CG	180.154
16	ASN	CG	175.96
18	ASN	CG	176.892
21	ASN	CG	178.756
23	GLN	CD	180.68
26	ASP	CG	180.154
27	ASP	CG	180.434
29	ASP	CG	177.824
30	GLU	CD	180.384
32	ARG	CZ	157.517
34	GLU	CD	182.67
35	ARG	CZ	157.945
42	GLU	CD	179.065
45	ARG	CZ	157.762
57	GLU	CD	182.577
61	ASN	CG	176.892
63	ASP	CG	179.781
68	ASN	CG	176.673
71	ARG	CZ	157.853
72	ASP	CG	180.061
73	ASP	CG	178.383
78	ASN	CG	176.799
85	ASN	CG	177.637
88	ARG	CZ	158.037
91	ASN	CG	176.333
95	ASP	CG	179.408
97	ARG	CZ	157.655
100	GLU	CD	184.068

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	116	115	99.1
¹H chemical shifts	609	592	97.2
¹³C chemical shifts	454	429	94.5

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	98	97	99.0
¹H chemical shifts	207	205	99.0
¹³C chemical shifts	200	198	99.0

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	18	18	100.0
¹H chemical shifts	402	387	96.3
¹³C chemical shifts	254	231	90.9

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	62	59	95.2
¹³C chemical shifts	62	59	95.2

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	2	2	100.0
¹H chemical shifts	42	35	83.3
¹³C chemical shifts	40	22	55.0

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

Saveframe: chemical_shift_assignment_three
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 100, Sequence coverage: 99.0%
- Total number of assignments
  - ¹³C chemical shifts: 290
  - ¹H chemical shifts: 599
  - ¹⁵N chemical shifts: 90
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- 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)
23	GLN	CD	180.645
30	GLU	CD	181.613
34	GLU	CD	183.27
42	GLU	CD	181.712
57	GLU	CD	182.825
85	ASN	CG	177.476
100	GLU	CD	184.737

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	454	283	62.3
¹H chemical shifts	609	483	79.3
¹⁵N chemical shifts	116	90	77.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	200	93	46.5
¹H chemical shifts	207	192	92.8
¹⁵N chemical shifts	98	90	91.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	254	190	74.8
¹H chemical shifts	402	291	72.4
¹⁵N chemical shifts	18	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	62	58	93.5
¹H chemical shifts	62	58	93.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	40	0	0.0
¹H chemical shifts	42	0	0.0
¹⁵N chemical shifts	2	0	0.0

Keywords CD2, CD48, cell adhesion molecules, T lymphocyte

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Found 1 Document (1.227 seconds)

BMRB: 4109

Sample

Sample

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. rat CD2 domain 1, : 1 : 1 : 29 entities Detail

Interaction partners 1. rat CD2 domain 1, : 1 interactors Detail

Experiments performed 10 experiments Detail

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Chemical shift validation 5 contents Detail