BMRB Entry 4702

Name: Structure of the Negative Regulatory Domain of p53 bound to S100B
Published: 2000-12-18

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4702

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Structure of the Negative Regulatory Domain of p53 bound to S100B

Deposition date:

2000-03-27

Original release date:

2000-12-18

Authors:

Rustandi, Richard; Baldisseri, Donna; Weber, David

Citation:

Citation: Rustandi, Richard; Baldisseri, Donna; Weber, David. "Structure of the Negative Regulatory Domain of p53 bound to S100B" Nat. Struct. Biol. 7, 570-574 (2000).

Assembly members:

Assembly members:
S100B beta, polymer, 91 residues, Formula weight is not available
C-terminal p53, polymer, 24 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.

Natural source:

Natural source: Common Name: rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus novergicus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
S100B beta: SELEKAMVALIDVFHQYSGR EGDKHKLKKSELKELINNEL SHFLEEIKEQEVVDKVMETL DEDGDGECDFQEFMAFVSMV TTACHEFFEHE
C-terminal p53: XSHLKSKKGQSTSRHKKLMF KTEX

Data sets:

assigned_chemical_shifts
- p53_peptide_shift

Data type	Count
1H chemical shifts	113

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	a chain	1
2	b chain	1
3	Ca 1	3
4	Ca 2	3
5	C-terminal p53 1	2
6	C-terminal p53 2	2

Entities:

Entity 1, a chain 91 residues - Formula weight is not available

1

SER

GLU

LEU

GLU

LYS

ALA

MET

VAL

ALA

LEU

2

ILE

ASP

VAL

PHE

HIS

GLN

TYR

SER

GLY

ARG

3

GLU

GLY

ASP

LYS

HIS

LYS

LEU

LYS

SER

4

GLU

LEU

LYS

GLU

LEU

ILE

ASN

GLU

LEU

5

SER

HIS

PHE

LEU

GLU

ILE

LYS

GLU

GLN

6

GLU

VAL

ASP

LYS

VAL

MET

GLU

THR

LEU

7

ASP

GLU

ASP

GLY

ASP

GLY

GLU

CYS

ASP

PHE

8

GLN

GLU

PHE

MET

ALA

PHE

VAL

SER

MET

VAL

9

THR

ALA

CYS

HIS

GLU

PHE

GLU

HIS

10

GLU

Entity 3, Ca 1 - Ca - 40.078 Da.

1

CA

Entity 2, C-terminal p53 1 24 residues - Formula weight is not available

1

ACE

SER

HIS

LEU

LYS

SER

LYS

GLY

GLN

2

SER

THR

SER

ARG

HIS

LYS

LEU

MET

PHE

3

LYS

THR

GLU

NH2

Samples:

sample_1: C-terminal p533 – 7 mM

condition_1: pH: 6.5; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 12C filter NOESY and TOCSY	sample_1	not available	condition_1
2D 12C, 14N filter NOESY and TOCSY	sample_1	not available	condition_1
2D NOESY and 2D TOCSY	sample_1	not available	condition_1
2D 14N filter NOESY and TOCSY	sample_1	not available	condition_1

Software:

NMRPipe v2.0 - Process and analyse the NMR data

NMR spectrometers:

Bruker DMX 600 MHz

BMRB	15923 4001 4099 4105 4099
PDB	1B4C 1DT7 1MQ1 1MWN 1QLK 1SYM 1UWO 1XYD 2H61 2K7O 2M49 2PRU 3CZT 3D0Y 3D10 3HCM 4XYN 5CSF 5CSI 5CSJ 5CSN 1DT7 2H59 2H4J 2H2F
DBJ	BAB43945 BAE22214 BAE22413 BAE36647 BAE88979 BAC16799.1 BAD96746.1
EMBL	CAA25567 CAG46920 CAA42635.1 CAA42627.1 CAA38095.1 CAA26306.1 CAJ28922.1
GB	AAA03075 AAA42096 AAA60367 AAH01766 AAH61178
PRF	2003367B
REF	NP_001076199 NP_001233735 NP_001247455 NP_001270589 NP_006263 XP_511957.2 NP_000537.3 XP_001172077.1 XP_001172061.1 XP_001172050.1
SP	P04271 P04631 P50114 Q6YNR6
SWISS-PROT	P04637
GenBank	EAW90142.1 EAW90140.1 ABM86630.1 ABL09846.1 EAW90141.1
AlphaFold	P04271 P04631 P50114 Q6YNR6