BMRB Entry 6777

Name: Beta PIX-SH3 complexed with an atypical peptide from alpha-PAK
Published: 2005-08-29

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6777

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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:

Beta PIX-SH3 complexed with an atypical peptide from alpha-PAK

Deposition date:

2005-08-15

Original release date:

2005-08-29

Authors:

Mott, H.; Nietlispach, D.; Evetts, K.; Owen, D.

Citation:

Citation: Mott, H.; Nietlispach, D.; Evetts, K.; Owen, D.. "Structural Analysis of the SH3 Domain of beta-PIX and Its Interaction with alpha-p21 Activated Kinase (PAK)" Biochemistry 44, 10977-10983 (2005).
PubMed: 16101281

Assembly members:

Assembly members:
beta-PIX, polymer, 65 residues, Formula weight is not available
alpha-p21 activated kinase, polymer, 22 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
beta-PIX: MTDNSNNQLVVRAKFNFQQT NEDELSFSKGDVIHVTRVEE GGWWEGTLNGRTGWFPSNYV REVKA
alpha-p21 activated kinase: DATPPPVIAPRPEHTKSVYT RS

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
- chemical_shift_set_2

Data type	Count
1H chemical shifts	539
13C chemical shifts	213
15N chemical shifts	76

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	beta PIX-SH3	1
2	alpha-PAK	2

Entities:

Entity 1, beta PIX-SH3 65 residues - Formula weight is not available

1

MET

THR

ASP

ASN

SER

ASN

GLN

LEU

VAL

2

VAL

ARG

ALA

LYS

PHE

ASN

PHE

GLN

THR

3

ASN

GLU

ASP

GLU

LEU

SER

PHE

SER

LYS

GLY

4

ASP

VAL

ILE

HIS

VAL

THR

ARG

VAL

GLU

5

GLY

TRP

GLU

GLY

THR

LEU

ASN

GLY

6

ARG

THR

GLY

TRP

PHE

PRO

SER

ASN

TYR

VAL

7

ARG

GLU

VAL

LYS

ALA

Entity 2, alpha-PAK 22 residues - Formula weight is not available

1

ASP

ALA

THR

PRO

VAL

ILE

ALA

PRO

2

ARG

PRO

GLU

HIS

THR

LYS

SER

VAL

TYR

THR

3

ARG

SER

Samples:

sample_1: beta-PIX, [U-15N], 1 mM; alpha-p21 activated kinase 1.2 mM; Na2HPO4/NaH2PO4 20 mM; Na2SO4 100 mM; NaN3 0.05%; H2O 90%; D2O 10%

sample_2: beta-PIX, [U-13C; U-15N], 1 mM; alpha-p21 activated kinase 1.2 mM; Na2HPO4/NaH2PO4 20 mM; Na2SO4 100 mM; NaN3 0.05%; H2O 90%; D2O 10%

sample_cond_1: pH: 7.3; temperature: 298 K; ionic strength: 100 mM; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
3D 15N-separated NOESY	not available	not available	not available
3D 13C-separated NOESY	not available	not available	not available
13C,15N-filtered 13C-separated NOESY	not available	not available	not available

Software:

XWINNMR v2.6 - collection

AZARA v2.7 - processing

ANSIG v3.3 - data analysis

Aria v1.2 - structure solution

CNS v1.1 - structure solution, refinement

NMR spectrometers:

Bruker DRX 800 MHz

PDB	1ZSG 1ZSG
DBJ	BAF85787 BAG51489 BAH12236 BAG51489 BAF85787
GB	AAA65441 AAB61533 AAB95646 AAC24716 AAC32375
PRF	2003404A 2003404A
REF	NP_001122092 NP_002567 NP_035165 NP_058894 XP_001090310 XP_001089263 NP_058894 NP_035165 NP_002567 NP_001122092
SP	O88643 P35465 Q13153
SWISS-PROT	Q13153 P35465 O88643
GenBank	AAC32375 AAC24716 AAB95646 AAB61533 AAA65441
AlphaFold	O88643 P35465 Q13153