BMRBj - BMREntryMaster

Found 1 Document (2.454 seconds)

BMRB: 5944

1Q68

A Zinc Clasp Structure Tethers Lck to T Cell Coreceptors CD4 and CD8

Authors

Kim, P.W., Sun, Z.J., Blacklow, S.C., Wagner, G., Eck, M.J.

Assembly

CD4 cytoplasmic tail - Lck N terminus

Entity

1. CD4 (polymer, Thiol state: free and other bound), 38 monomers, 4679.489 Da Detail

RCRHRRRQAE RLSQIKRLLS EKKTCQCPHR FQKTCSPI

2. Lck (polymer, Thiol state: free and other bound), 29 monomers, 3296.552 Da Detail

SHPEDDWLEN IDVCENCHYP IVPLDGKGT

3. ZN (non-polymer), 65.409 Da

Total weight

8041.45 Da

Max. entity weight

4679.489 Da

Entity Connection

metal coordination 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:CYS25:SG	3:ZN1:ZN
2	metal coordination	sing	1:CYS27:SG	3:ZN1:ZN
3	metal coordination	sing	2:CYS14:SG	3:ZN1:ZN
4	metal coordination	sing	2:CYS17:SG	3:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

distance geometry, simulated annealing, molecular dynamics, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 55.2 %, Completeness: 43.2 %, Completeness (bb): 46.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	43.2 % (348 of 806)	42.1 % (182 of 432)	43.0 % (131 of 305)	50.7 % (35 of 69)
Backbone	46.2 % (181 of 392)	50.4 % (66 of 131)	40.2 % (80 of 199)	56.5 % (35 of 62)
Sidechain	42.2 % (202 of 479)	38.5 % (116 of 301)	50.3 % (86 of 171)	0.0 % (0 of 7)
Aromatic	4.3 % (2 of 46)	8.7 % (2 of 23)	0.0 % (0 of 22)	0.0 % (0 of 1)
Methyl	50.0 % (26 of 52)	50.0 % (13 of 26)	50.0 % (13 of 26)

1. CD4

RCRHRRRQAE RLSQIKRLLS EKKTCQCPHR FQKTCSPI

2. Lck

SHPEDDWLEN IDVCENCHYP IVPLDGKGT

Show sample condition

Sample

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CD4 cytoplasmic tail - Lck N terminus			0.5 mM
2	Lck			0.5 mM

Chem. Shift Complete2

Sequence coverage: 49.3 %, Completeness: 38.0 %, Completeness (bb): 41.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	38.0 % (612 of 1612)	38.0 % (328 of 864)	35.9 % (219 of 610)	47.1 % (65 of 138)
Backbone	41.6 % (326 of 784)	47.3 % (124 of 262)	34.7 % (138 of 398)	51.6 % (64 of 124)
Sidechain	36.1 % (346 of 958)	33.9 % (204 of 602)	41.2 % (141 of 342)	7.1 % (1 of 14)
Aromatic	13.0 % (12 of 92)	23.9 % (11 of 46)	0.0 % (0 of 44)	50.0 % (1 of 2)
Methyl	51.9 % (54 of 104)	51.9 % (27 of 52)	51.9 % (27 of 52)

1. CD4

RCRHRRRQAE RLSQIKRLLS EKKTCQCPHR FQKTCSPI

2. Lck

SHPEDDWLEN IDVCENCHYP IVPLDGKGT

Show sample condition

Sample

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CD4 cytoplasmic tail - Lck N terminus			0.5 mM
2	Lck			0.5 mM

Protein Blocks Logo

Calculated from 10 models in PDB: 1Q68, Strand ID: A, B Detail

Release date

2003-12-18

Citation

A zinc clasp structure tethers Lck to T cell coreceptors CD4 and CD8
Kim, P.W., Sun, Z.J., Blacklow, S.C., Wagner, G., Eck, M.J.
Science (2003), 301, 1725-1728, PubMed 14500983 , DOI 10.1126/science.1085643 , Abstract

Related entities 1. CD4, : 8 : 10 entities Detail

Related entities 2. Lck, : 1 : 1 : 2 : 20 entities Detail

Interaction partners 1. CD4, : 17 : 1 interactors Detail

More details for 18 interactors identified by 12 citations

Interaction partners 2. Lck, : 61 : 1 interactors Detail

More details for 62 interactors identified by 42 citations

Experiments performed 13 experiments Detail

1 HNCA

Instrument

#1 Model Bruker Varian (500 MHz)

#2 Model Bruker Varian (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CD4 cytoplasmic tail - Lck N terminus			0.5 mM
2	Lck			0.5 mM

Sample #2

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	CD4 cytoplasmic tail - Lck N terminus	[U-15N]		0.5 mM
4	Lck			0.5 mM

Sample #3

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	CD4 cytoplasmic tail - Lck N terminus	[U-15N; U-13C]		0.5 mM
6	Lck			0.5 mM

2 HN(CO)CA

Instrument

#1 Model Bruker Varian (500 MHz)

#2 Model Bruker Varian (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CD4 cytoplasmic tail - Lck N terminus			0.5 mM
2	Lck			0.5 mM

Sample #2

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	CD4 cytoplasmic tail - Lck N terminus	[U-15N]		0.5 mM
4	Lck			0.5 mM

Sample #3

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	CD4 cytoplasmic tail - Lck N terminus	[U-15N; U-13C]		0.5 mM
6	Lck			0.5 mM

3 HNCACB

Instrument

#1 Model Bruker Varian (500 MHz)

#2 Model Bruker Varian (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CD4 cytoplasmic tail - Lck N terminus			0.5 mM
2	Lck			0.5 mM

Sample #2

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	CD4 cytoplasmic tail - Lck N terminus	[U-15N]		0.5 mM
4	Lck			0.5 mM

Sample #3

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	CD4 cytoplasmic tail - Lck N terminus	[U-15N; U-13C]		0.5 mM
6	Lck			0.5 mM

4 HN(CO)CACB

Instrument

#1 Model Bruker Varian (500 MHz)

#2 Model Bruker Varian (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CD4 cytoplasmic tail - Lck N terminus			0.5 mM
2	Lck			0.5 mM

Sample #2

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	CD4 cytoplasmic tail - Lck N terminus	[U-15N]		0.5 mM
4	Lck			0.5 mM

Sample #3

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	CD4 cytoplasmic tail - Lck N terminus	[U-15N; U-13C]		0.5 mM
6	Lck			0.5 mM

5 CCONH

Instrument

#1 Model Bruker Varian (500 MHz)

#2 Model Bruker Varian (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CD4 cytoplasmic tail - Lck N terminus			0.5 mM
2	Lck			0.5 mM

Sample #2

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	CD4 cytoplasmic tail - Lck N terminus	[U-15N]		0.5 mM
4	Lck			0.5 mM

Sample #3

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	CD4 cytoplasmic tail - Lck N terminus	[U-15N; U-13C]		0.5 mM
6	Lck			0.5 mM

6 HCCONH

Instrument

#1 Model Bruker Varian (500 MHz)

#2 Model Bruker Varian (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CD4 cytoplasmic tail - Lck N terminus			0.5 mM
2	Lck			0.5 mM

Sample #2

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	CD4 cytoplasmic tail - Lck N terminus	[U-15N]		0.5 mM
4	Lck			0.5 mM

Sample #3

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	CD4 cytoplasmic tail - Lck N terminus	[U-15N; U-13C]		0.5 mM
6	Lck			0.5 mM

7 HCCH TOCSY

Instrument

#1 Model Bruker Varian (500 MHz)

#2 Model Bruker Varian (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CD4 cytoplasmic tail - Lck N terminus			0.5 mM
2	Lck			0.5 mM

Sample #2

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	CD4 cytoplasmic tail - Lck N terminus	[U-15N]		0.5 mM
4	Lck			0.5 mM

Sample #3

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	CD4 cytoplasmic tail - Lck N terminus	[U-15N; U-13C]		0.5 mM
6	Lck			0.5 mM

8 15N-NOESY

Instrument

#1 Model Bruker Varian (500 MHz)

#2 Model Bruker Varian (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CD4 cytoplasmic tail - Lck N terminus			0.5 mM
2	Lck			0.5 mM

Sample #2

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	CD4 cytoplasmic tail - Lck N terminus	[U-15N]		0.5 mM
4	Lck			0.5 mM

Sample #3

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	CD4 cytoplasmic tail - Lck N terminus	[U-15N; U-13C]		0.5 mM
6	Lck			0.5 mM

9 15N-TOCSY

Instrument

#1 Model Bruker Varian (500 MHz)

#2 Model Bruker Varian (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CD4 cytoplasmic tail - Lck N terminus			0.5 mM
2	Lck			0.5 mM

Sample #2

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	CD4 cytoplasmic tail - Lck N terminus	[U-15N]		0.5 mM
4	Lck			0.5 mM

Sample #3

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	CD4 cytoplasmic tail - Lck N terminus	[U-15N; U-13C]		0.5 mM
6	Lck			0.5 mM

10 D2O NOESY

Instrument

#1 Model Bruker Varian (500 MHz)

#2 Model Bruker Varian (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CD4 cytoplasmic tail - Lck N terminus			0.5 mM
2	Lck			0.5 mM

Sample #2

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	CD4 cytoplasmic tail - Lck N terminus	[U-15N]		0.5 mM
4	Lck			0.5 mM

Sample #3

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	CD4 cytoplasmic tail - Lck N terminus	[U-15N; U-13C]		0.5 mM
6	Lck			0.5 mM

11 D2O TOCSY

Instrument

#1 Model Bruker Varian (500 MHz)

#2 Model Bruker Varian (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CD4 cytoplasmic tail - Lck N terminus			0.5 mM
2	Lck			0.5 mM

Sample #2

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	CD4 cytoplasmic tail - Lck N terminus	[U-15N]		0.5 mM
4	Lck			0.5 mM

Sample #3

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	CD4 cytoplasmic tail - Lck N terminus	[U-15N; U-13C]		0.5 mM
6	Lck			0.5 mM

12 Cd-H HMQC

Instrument

#1 Model Bruker Varian (500 MHz)

#2 Model Bruker Varian (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CD4 cytoplasmic tail - Lck N terminus			0.5 mM
2	Lck			0.5 mM

Sample #2

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	CD4 cytoplasmic tail - Lck N terminus	[U-15N]		0.5 mM
4	Lck			0.5 mM

Sample #3

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	CD4 cytoplasmic tail - Lck N terminus	[U-15N; U-13C]		0.5 mM
6	Lck			0.5 mM

13 Cd-H NOESY-HMQC

Instrument

#1 Model Bruker Varian (500 MHz)

#2 Model Bruker Varian (750 MHz)

Sample #1

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CD4 cytoplasmic tail - Lck N terminus			0.5 mM
2	Lck			0.5 mM

Sample #2

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	CD4 cytoplasmic tail - Lck N terminus	[U-15N]		0.5 mM
4	Lck			0.5 mM

Sample #3

Temperature 298 (±1) K, pH 5.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	CD4 cytoplasmic tail - Lck N terminus	[U-15N; U-13C]		0.5 mM
6	Lck			0.5 mM

nullKeywords CD4, CD8, Lck, Zinc

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Found 1 Document (2.454 seconds)

BMRB: 5944

Sample

Sample

Related entities 1. CD4, : 8 : 10 entities Detail

Related entities 2. Lck, : 1 : 1 : 2 : 20 entities Detail

Interaction partners 1. CD4, : 17 : 1 interactors Detail

Interaction partners 2. Lck, : 61 : 1 interactors Detail

Experiments performed 13 experiments Detail

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