BMRBj - BMREntryMaster

Found 1 Document (1.778 seconds)

BMRB: 6960

2D82

Target Structure-Based Discovery of Small Molecules that Block Human p53 and CREB Binding Protein (CBP) Association

Authors

Sachchidanand, Resnick-Silverman, L., Yan, S., Mujtaba, S., Liu, W.J., Zeng, L., Manfredi, J., Zhou, M.M.

Assembly

CREB-binding protein

Entity

1. CREB-binding protein (polymer, Thiol state: not present), 121 monomers, 14401.40 Da Detail

GSHMRKKIFK PEELRQALMP TLEALYRQDP ESLPFRQPVD PQLLGIPDYF DIVKNPMDLS TIKRKLDTGQ YQEPWQYVDD VWLMFNNAWL YNRKTSRVYK FCSKLAEVFE QEIDPVMQSL G

Formula weight

14401.4 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

Distance Geometry, Simulated Annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 84.7 %, Completeness (bb): 83.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.7 % (1289 of 1522)	88.4 % (712 of 805)	78.1 % (461 of 590)	91.3 % (116 of 127)
Backbone	83.6 % (590 of 706)	96.2 % (227 of 236)	71.3 % (256 of 359)	96.4 % (107 of 111)
Sidechain	87.5 % (816 of 933)	85.2 % (485 of 569)	92.5 % (322 of 348)	56.3 % (9 of 16)
Aromatic	66.9 % (99 of 148)	71.6 % (53 of 74)	64.8 % (46 of 71)	0.0 % (0 of 3)
Methyl	100.0 % (116 of 116)	100.0 % (58 of 58)	100.0 % (58 of 58)

1. CREB-binding protein (E.C.2.3.1.48)

GSHMRKKIFK PEELRQALMP TLEALYRQDP ESLPFRQPVD PQLLGIPDYF DIVKNPMDLS TIKRKLDTGQ YQEPWQYVDD VWLMFNNAWL YNRKTSRVYK FCSKLAEVFE QEIDPVMQSL G

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	CREB-binding protein (E.C.2.3.1.48)	[U-15N; U-13C]	0.5 mM
2	CRB		3.0 mM
3	phosphate buffer		100 mM
4	D2O		100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹³C	na	na	null	null
¹H	na	na	null	null
¹⁵N	na	na	null	null

Referencing offset: 0.16 ppm, Outliers: 6 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹³C	na	na	null	null
¹H	na	na	null	null
¹⁵N	na	na	null	null

Referencing offset: 0.16 ppm, Outliers: 6 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹³C	na	na	null	null
¹H	na	na	null	null
¹⁵N	na	na	null	null

Referencing offset: 0.08 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 1 models in PDB: 2D82, Strand ID: A Detail

Release date

2006-04-25

Citation

Target structure-based discovery of small molecules that block human p53 and CREB binding protein association
Sachchidanand, Resnick-Silverman, L., Yan, S., Mujtaba, S., Liu, W.J., Zeng, L., Manfredi, J.J., Zhou, M.M.
Chem. Biol. (2006), 13, 81-90, PubMed 16426974 , DOI 10.1016/j.chembiol.2005.10.014 , Abstract

Related entities 1. CREB-binding protein, : 1 : 5 : 100 : 39 entities Detail

Interaction partners 1. CREB-binding protein, : 32 interactors Detail

More details for 32 interactors identified by 24 citations

Experiments performed 6 experiments Detail

1 3D 13C-SEPERATED NOESY

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	CREB-binding protein (E.C.2.3.1.48)	[U-15N; U-13C]	0.5 mM
2	CRB		3.0 mM
3	phosphate buffer		100 mM
4	D2O		100 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	CREB-binding protein (E.C.2.3.1.48)	[U-15N; U-13C; U-75% 2H]	0.5 mM
6	CRB		3.0 mM
7	phosphate buffer		100 mM
8	D2O		10 %
9	H2O		90 %

2 3D 13C-SEPERATED TOCSY

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	CREB-binding protein (E.C.2.3.1.48)	[U-15N; U-13C]	0.5 mM
2	CRB		3.0 mM
3	phosphate buffer		100 mM
4	D2O		100 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	CREB-binding protein (E.C.2.3.1.48)	[U-15N; U-13C; U-75% 2H]	0.5 mM
6	CRB		3.0 mM
7	phosphate buffer		100 mM
8	D2O		10 %
9	H2O		90 %

3 3D 13C-EDITED 13C/15N-Filtered NOESY

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	CREB-binding protein (E.C.2.3.1.48)	[U-15N; U-13C]	0.5 mM
2	CRB		3.0 mM
3	phosphate buffer		100 mM
4	D2O		100 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	CREB-binding protein (E.C.2.3.1.48)	[U-15N; U-13C; U-75% 2H]	0.5 mM
6	CRB		3.0 mM
7	phosphate buffer		100 mM
8	D2O		10 %
9	H2O		90 %

4 3D HNCACB

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	CREB-binding protein (E.C.2.3.1.48)	[U-15N; U-13C]	0.5 mM
2	CRB		3.0 mM
3	phosphate buffer		100 mM
4	D2O		100 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	CREB-binding protein (E.C.2.3.1.48)	[U-15N; U-13C; U-75% 2H]	0.5 mM
6	CRB		3.0 mM
7	phosphate buffer		100 mM
8	D2O		10 %
9	H2O		90 %

5 3D HNCOCACB

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	CREB-binding protein (E.C.2.3.1.48)	[U-15N; U-13C]	0.5 mM
2	CRB		3.0 mM
3	phosphate buffer		100 mM
4	D2O		100 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	CREB-binding protein (E.C.2.3.1.48)	[U-15N; U-13C; U-75% 2H]	0.5 mM
6	CRB		3.0 mM
7	phosphate buffer		100 mM
8	D2O		10 %
9	H2O		90 %

6 3D CCONH

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	CREB-binding protein (E.C.2.3.1.48)	[U-15N; U-13C]	0.5 mM
2	CRB		3.0 mM
3	phosphate buffer		100 mM
4	D2O		100 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	CREB-binding protein (E.C.2.3.1.48)	[U-15N; U-13C; U-75% 2H]	0.5 mM
6	CRB		3.0 mM
7	phosphate buffer		100 mM
8	D2O		10 %
9	H2O		90 %

nullKeywords 9-Acetyl-2, 3, 4, 9-tetrahydro-carbazol-1-one, Bromodomain, CBP, Chemical Ligand, CREB, NMR structure, p53

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Found 1 Document (1.778 seconds)

BMRB: 6960

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. CREB-binding protein, : 1 : 5 : 100 : 39 entities Detail

Interaction partners 1. CREB-binding protein, : 32 interactors Detail

Experiments performed 6 experiments Detail

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