BMRB Entry 6960

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6960
MolProbity Validation Chart

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Title:
Target Structure-Based Discovery of Small Molecules that Block Human p53 and CREB Binding Protein (CBP) Association
Deposition date:
2006-01-27
Original release date:
2006-04-26
Authors:
Sachchidanand, .; Resnick-Silverman, L.; Yan, S.; Mujtaba, S.; Liu, W.; Zeng, L.; Manfredi, J.; Zhou, M.
Citation:

Citation: Sachchidanand, .; Resnick-Silverman, L.; Yan, S.; Mujtaba, S.; Liu, W.; Zeng, L.; Manfredi, J.; Zhou, M.. "Target structure-based discovery of small molecules that block human p53 and CREB binding protein association"  Chem. Biol. 13, 81-90 (2006).
PubMed: 16426974

Assembly members:

Assembly members:
CREB-binding protein (E.C.2.3.1.48), polymer, 121 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CREB-binding protein (E.C.2.3.1.48): GSHMRKKIFKPEELRQALMP TLEALYRQDPESLPFRQPVD PQLLGIPDYFDIVKNPMDLS TIKRKLDTGQYQEPWQYVDD VWLMFNNAWLYNRKTSRVYK FCSKLAEVFEQEIDPVMQSL G

Data sets:
Data typeCount
13C chemical shifts441
15N chemical shifts116
1H chemical shifts845

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1CREB-binding protein1

Entities:

Entity 1, CREB-binding protein 121 residues - Formula weight is not available

1   GLYSERHISMETARGLYSLYSILEPHELYS
2   PROGLUGLULEUARGGLNALALEUMETPRO
3   THRLEUGLUALALEUTYRARGGLNASPPRO
4   GLUSERLEUPROPHEARGGLNPROVALASP
5   PROGLNLEULEUGLYILEPROASPTYRPHE
6   ASPILEVALLYSASNPROMETASPLEUSER
7   THRILELYSARGLYSLEUASPTHRGLYGLN
8   TYRGLNGLUPROTRPGLNTYRVALASPASP
9   VALTRPLEUMETPHEASNASNALATRPLEU
10   TYRASNARGLYSTHRSERARGVALTYRLYS
11   PHECYSSERLYSLEUALAGLUVALPHEGLU
12   GLNGLUILEASPPROVALMETGLNSERLEU
13   GLY

Samples:

sample_1: CREB-binding protein (E.C.2.3.1.48), [U-15N; U-13C], 0.5 mM; CRB 3.0 mM; phosphate buffer 100 mM; D2O 100%

sample_2: CREB-binding protein (E.C.2.3.1.48), [U-15N; U-13C; U-75% 2H], 0.5 mM; CRB 3.0 mM; phosphate buffer 100 mM; D2O 10%; H2O 90%

sample_cond_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D 13C-SEPERATED NOESYnot availablenot availablesample_cond_1
3D 13C-SEPERATED TOCSYnot availablenot availablesample_cond_1
3D 13C-EDITED 13C/15N-Filtered NOESYnot availablenot availablesample_cond_1
3D HNCACBnot availablenot availablesample_cond_1
3D HNCOCACBnot availablenot availablesample_cond_1
3D CCONHnot availablenot availablesample_cond_1

Software:

NMRPipe v2.3 - processing

NMRView v5.0.4 - data analysis

X-PLOR v3.851 - structure solution

ARIA v2.0 - refinement

NMR spectrometers:

  • Bruker DRX 500 MHz

Related Database Links:

BMRB 17392 17393 7110
PDB
DBJ BAE06125 BAG65526 BAI45616
GB AAB28651 AAC51331 AAC51770 AAH72594 AAI72737
PRF 1923401A
REF NP_001020603 NP_001073315 NP_001157494 NP_001247644 NP_004371
SP P45481 Q6JHU9 Q92793
TPG DAA15549
AlphaFold P45481 Q6JHU9 Q92793

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