BMRBj - BMREntryMaster

Found 1 Document (1.489 seconds)

BMRB: 4789

8HAL

Backbone 1H, 13C, and 15N Chemical Shift Assignments for TAZ2 domain of CBP

Authors

De Guzman, R.N., Liu, H.Y., Martinez-Yamout, M., Dyson, H.JANE., Wright, P.E.

Assembly

TAZ2 domain of CBP

Entity

1. CBP TAZ2 domain (polymer, Thiol state: free and other bound), 87 monomers, 9851.655 Da Detail

SPQESRRLSI QRCIQSLVHA CQCRNANCSL PSCQKMKRVV QHTKGCKRKT NGGCPVCKQL IALCCYHAKH CQENKCPVPF CLNIKHK

2. ZN (non-polymer), 65.409 Da

Total weight

9917.064 Da

Max. entity weight

9851.655 Da

Entity Connection

metal coordination 9 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:CYS23:SG	2:ZN1:ZN
2	metal coordination	sing	1:CYS28:SG	2:ZN1:ZN
3	metal coordination	sing	1:CYS33:SG	2:ZN1:ZN
4	metal coordination	sing	1:CYS46:SG	2:ZN1:ZN
5	metal coordination	sing	1:CYS54:SG	2:ZN1:ZN
6	metal coordination	sing	1:CYS57:SG	2:ZN1:ZN
7	metal coordination	sing	1:CYS71:SG	2:ZN1:ZN
8	metal coordination	sing	1:CYS76:SG	2:ZN1:ZN
9	metal coordination	sing	1:CYS81:SG	2:ZN1:ZN

Source organism

Mus musculus

Exptl. method

NMR

Refine. method

distance geometry simulated annealing molecular dynamics matrix relaxation torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.8 %, Completeness (bb): 96.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.8 % (902 of 1027)	83.1 % (456 of 549)	92.4 % (354 of 383)	96.8 % (92 of 95)
Backbone	96.9 % (496 of 512)	98.8 % (170 of 172)	95.0 % (245 of 258)	98.8 % (81 of 82)
Sidechain	81.5 % (488 of 599)	75.9 % (286 of 377)	91.4 % (191 of 209)	84.6 % (11 of 13)
Aromatic	63.2 % (24 of 38)	68.4 % (13 of 19)	57.9 % (11 of 19)
Methyl	84.7 % (61 of 72)	88.9 % (32 of 36)	80.6 % (29 of 36)

1. CBP TAZ2 domain

SPQESRRLSI QRCIQSLVHA CQCRNANCSL PSCQKMKRVV QHTKGCKRKT NGGCPVCKQL IALCCYHAKH CQENKCPVPF CLNIKHK

Show sample condition

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	CBP TAZ2 domain	[U-15N]		1.0 ~ 1.5 mM
2	ZINC (II) ION			0.0 ~ 0.0 mM

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	CBP TAZ2 domain	[U-15N; U-13C]		1.0 ~ 1.5 mM
4	ZINC (II) ION			0.0 ~ 0.0 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	0.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.04 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	0.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.04 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	0.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.1 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	0.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.01 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 1F81, Strand ID: A Detail

Release date

2000-10-22

Citation 1

Solution structure of the TAZ2 (CH3) domain of the transcriptional adaptor protein CBP
De Guzman, R.N., Liu, H.Y., Martinez-Yamout, M., Dyson, H.JANE., Wright, P.E.
J. Mol. Biol. (2000), 303, 243-253, PubMed 11023789 , DOI 10.1006/jmbi.2000.4141 , Abstract

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. CBP TAZ2 domain, : 1 : 16 : 54 entities Detail

Interaction partners 1. CBP TAZ2 domain, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 12 experiments Detail

1 15N NOESY

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

#3 Model Bruker DRX (750 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	CBP TAZ2 domain	[U-15N]		1.0 ~ 1.5 mM
2	ZINC (II) ION			0.0 ~ 0.0 mM

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	CBP TAZ2 domain	[U-15N; U-13C]		1.0 ~ 1.5 mM
4	ZINC (II) ION			0.0 ~ 0.0 mM

2 15N TOCSY

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

#3 Model Bruker DRX (750 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	CBP TAZ2 domain	[U-15N]		1.0 ~ 1.5 mM
2	ZINC (II) ION			0.0 ~ 0.0 mM

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	CBP TAZ2 domain	[U-15N; U-13C]		1.0 ~ 1.5 mM
4	ZINC (II) ION			0.0 ~ 0.0 mM

3 13C NOESY

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

#3 Model Bruker DRX (750 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	CBP TAZ2 domain	[U-15N]		1.0 ~ 1.5 mM
2	ZINC (II) ION			0.0 ~ 0.0 mM

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	CBP TAZ2 domain	[U-15N; U-13C]		1.0 ~ 1.5 mM
4	ZINC (II) ION			0.0 ~ 0.0 mM

4 HNCA

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

#3 Model Bruker DRX (750 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	CBP TAZ2 domain	[U-15N]		1.0 ~ 1.5 mM
2	ZINC (II) ION			0.0 ~ 0.0 mM

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	CBP TAZ2 domain	[U-15N; U-13C]		1.0 ~ 1.5 mM
4	ZINC (II) ION			0.0 ~ 0.0 mM

5 HNCACB

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

#3 Model Bruker DRX (750 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	CBP TAZ2 domain	[U-15N]		1.0 ~ 1.5 mM
2	ZINC (II) ION			0.0 ~ 0.0 mM

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	CBP TAZ2 domain	[U-15N; U-13C]		1.0 ~ 1.5 mM
4	ZINC (II) ION			0.0 ~ 0.0 mM

6 CBCACONH

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

#3 Model Bruker DRX (750 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	CBP TAZ2 domain	[U-15N]		1.0 ~ 1.5 mM
2	ZINC (II) ION			0.0 ~ 0.0 mM

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	CBP TAZ2 domain	[U-15N; U-13C]		1.0 ~ 1.5 mM
4	ZINC (II) ION			0.0 ~ 0.0 mM

7 HCCONH

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

#3 Model Bruker DRX (750 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	CBP TAZ2 domain	[U-15N]		1.0 ~ 1.5 mM
2	ZINC (II) ION			0.0 ~ 0.0 mM

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	CBP TAZ2 domain	[U-15N; U-13C]		1.0 ~ 1.5 mM
4	ZINC (II) ION			0.0 ~ 0.0 mM

8 CCONH

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

#3 Model Bruker DRX (750 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	CBP TAZ2 domain	[U-15N]		1.0 ~ 1.5 mM
2	ZINC (II) ION			0.0 ~ 0.0 mM

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	CBP TAZ2 domain	[U-15N; U-13C]		1.0 ~ 1.5 mM
4	ZINC (II) ION			0.0 ~ 0.0 mM

9 HNHA

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

#3 Model Bruker DRX (750 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	CBP TAZ2 domain	[U-15N]		1.0 ~ 1.5 mM
2	ZINC (II) ION			0.0 ~ 0.0 mM

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	CBP TAZ2 domain	[U-15N; U-13C]		1.0 ~ 1.5 mM
4	ZINC (II) ION			0.0 ~ 0.0 mM

10 HNHB

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

#3 Model Bruker DRX (750 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	CBP TAZ2 domain	[U-15N]		1.0 ~ 1.5 mM
2	ZINC (II) ION			0.0 ~ 0.0 mM

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	CBP TAZ2 domain	[U-15N; U-13C]		1.0 ~ 1.5 mM
4	ZINC (II) ION			0.0 ~ 0.0 mM

11 HACAHB-COSY

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

#3 Model Bruker DRX (750 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	CBP TAZ2 domain	[U-15N]		1.0 ~ 1.5 mM
2	ZINC (II) ION			0.0 ~ 0.0 mM

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	CBP TAZ2 domain	[U-15N; U-13C]		1.0 ~ 1.5 mM
4	ZINC (II) ION			0.0 ~ 0.0 mM

12 HNCO

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

#3 Model Bruker DRX (750 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	CBP TAZ2 domain	[U-15N]		1.0 ~ 1.5 mM
2	ZINC (II) ION			0.0 ~ 0.0 mM

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	CBP TAZ2 domain	[U-15N; U-13C]		1.0 ~ 1.5 mM
4	ZINC (II) ION			0.0 ~ 0.0 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4789_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	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:23:CYS:SG	2:1:ZN:ZN	reduced, CA 60.55, CB 29.209 ppm	unknown	n/a
1:28:CYS:SG	2:1:ZN:ZN	reduced, CA 61.677, CB 30.045 ppm	unknown	n/a
1:33:CYS:SG	2:1:ZN:ZN	reduced, CA 63.97, CB 29.629 ppm	unknown	n/a
1:46:CYS:SG	2:1:ZN:ZN	reduced, CA 60.988, CB 30.025 ppm	unknown	n/a
1:54:CYS:SG	2:1:ZN:ZN	reduced, CA 55.698, CB 30.622 ppm	unknown	n/a
1:57:CYS:SG	2:1:ZN:ZN	reduced, CA 65.722, CB 29.64 ppm	unknown	n/a
1:71:CYS:SG	2:1:ZN:ZN	reduced, CA 60.424, CB 30.274 ppm	unknown	n/a
1:76:CYS:SG	2:1:ZN:ZN	reduced, CA 57.722, CB 30.715 ppm	unknown	n/a
1:81:CYS:SG	2:1:ZN:ZN	reduced, CA 63.993, CB 29.712 ppm	unknown	n/a

Non-standard residues

None

Content subtype: bmr4789_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	971		100.0 (chain: 1, length: 87)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 87, Sequence coverage: 100.0%
- Total number of assignments
  - ¹⁵N chemical shifts: 103
  - ¹H chemical shifts: 514
  - ¹³C chemical shifts: 354
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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)
19	HIS	NE2	209.04
19	HIS	ND1	163.719
42	HIS	NE2	210.107
42	HIS	ND1	163.88
67	HIS	NE2	212.788
67	HIS	ND1	162.018
70	HIS	NE2	174.969
70	HIS	ND1	184.215
86	HIS	NE2	167.311
86	HIS	ND1	175.56

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	101	93	92.1
¹H chemical shifts	549	452	82.3
¹³C chemical shifts	383	354	92.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	82	82	100.0
¹H chemical shifts	172	172	100.0
¹³C chemical shifts	174	163	93.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	19	11	57.9
¹H chemical shifts	377	280	74.3
¹³C chemical shifts	209	191	91.4

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Found 1 Document (1.489 seconds)

BMRB: 4789

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. CBP TAZ2 domain, : 1 : 16 : 54 entities Detail

Interaction partners 1. CBP TAZ2 domain, : 1 interactors Detail

Experiments performed 12 experiments Detail

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Chemical shift validation 4 contents Detail