BMRB Entry 17974

Name: Structural and mechanistic insights into the interaction between PAT Pyk2 and Paxillin LD motif
Published: 2012-10-09

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PDB ID: 2lk4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17974
MolProbity Validation Chart

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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:

Structural and mechanistic insights into the interaction between PAT Pyk2 and Paxillin LD motif

Deposition date:

2011-10-04

Original release date:

2012-10-09

Authors:

Vanarotti, Murugendra; Miller, Darcie; Guibao, Cristina; Zheng, Jie

Citation:

Citation: Vanarotti, Murugendra; Miller, Darcie; Guibao, Cristina; Zheng, Jie. "Structural and mechanistic insights into the interaction between PAT Pyk2 and Paxillin LD motif" .

Assembly members:

Assembly members:
entity, polymer, 135 residues, 14815.178 Da.

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 Host organism: Escherichia coli Vector: pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: ANLDRTDDLVYLNVMELVRA VLELKNELSQLPPEGYVVVV KNVGLTLRKLIGSVDDLLPS LPSSSRTEIEGTQKLLNKDL AELINKMRLAQQNAVTSLSE EAKRQMLTASHTLAVDAKNL LDAVDQAKVLANLAH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	438
15N chemical shifts	143
1H chemical shifts	998

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PAT Pyk2 and Paxillin LD motif	1

Entities:

Entity 1, PAT Pyk2 and Paxillin LD motif 135 residues - 14815.178 Da.

1

ALA

ASN

LEU

ASP

ARG

THR

ASP

LEU

VAL

2

TYR

LEU

ASN

VAL

MET

GLU

LEU

VAL

ARG

ALA

3

VAL

LEU

GLU

LEU

LYS

ASN

GLU

LEU

SER

GLN

4

LEU

PRO

GLU

GLY

TYR

VAL

5

LYS

ASN

VAL

GLY

LEU

THR

LEU

ARG

LYS

LEU

6

ILE

GLY

SER

VAL

ASP

LEU

PRO

SER

7

LEU

PRO

SER

ARG

THR

GLU

ILE

GLU

8

GLY

THR

GLN

LYS

LEU

ASN

LYS

ASP

LEU

9

ALA

GLU

LEU

ILE

ASN

LYS

MET

ARG

LEU

ALA

10

GLN

ASN

ALA

VAL

THR

SER

LEU

SER

GLU

11

GLU

ALA

LYS

ARG

GLN

MET

LEU

THR

ALA

SER

12

HIS

THR

LEU

ALA

VAL

ASP

ALA

LYS

ASN

LEU

13

LEU

ASP

ALA

VAL

ASP

GLN

ALA

LYS

VAL

LEU

14

ALA

ASN

LEU

ALA

HIS

Samples:

sample_1: MES, [U-100% 13C; U-100% 15N], 0.5 – 1 mM; H2O, natural source, 90%; D2O, natural source, 10%

sample_conditions_1: ionic strength: 7 mM; pH: 6.2; pressure: 1 atm; temperature: 305 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

PDB	2LK4 3GM1 3GM2 3GM3 3U3F 4R32
DBJ	BAI45770
EMBL	CAH92304
GB	AAB35701 AAB47217 AAC05330 AAC50203 AAH36651
PRF	2119367A 2208337A
REF	NP_001095722 NP_001127536 NP_004094 NP_775266 NP_775267
SP	Q14289
TPG	DAA26677
AlphaFold	Q14289