BMRB Entry 5211

Name: SAP/SH2D1A bound to peptide n-Y-c
Published: 2002-07-12

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PDB ID: 1ka7
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5211
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

SAP/SH2D1A bound to peptide n-Y-c

Deposition date:

2001-11-15

Original release date:

2002-07-12

Authors:

Hwang, P.; Li, C.; Morra, M.; Lillywhite, J.; Muhandiram, D.; Gertler, F.; Terhorst, C.; Kay, L.; Pawson, T.; Forman-Kay, J.; Li, S.-C.

Citation:

Citation: Hwang, P.; Li, C.; Morra, M.; Lillywhite, J.; Muhandiram, D.; Gertler, F.; Terhorst, C.; Kay, L.; Pawson, T.; Forman-Kay, J.; Li, S.-C.. "A "three-pronged" Binding Mechanism for the SAP/SH2D1A SH2 Domain: Structural Basis and Relevance to the XLP Syndrome " EMBO J. 21, 314-323 (2002).
PubMed: 11823424

Assembly members:

Assembly members:
SAP/SH2D1A, polymer, 128 residues, Formula weight is not available
peptide n-Y-c, polymer, 12 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 Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SAP/SH2D1A: MDAVAVYHGKISRETGEKLL LATGLDGSYLLRDSESVPGV YCLCVLYHGYIYTYRVSQTE TGSWSAETAPGVHKRYFRKI KNLISAFQKPDQGIVIPLQY PVEKKSSARSTQGTTGIRED PDVCLKAP
peptide n-Y-c: RKSLTIYAQVQK

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
- chemical_shift_set_2

Data type	Count
1H chemical shifts	953
13C chemical shifts	554
15N chemical shifts	126

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SH2 DOMAIN PROTEIN 1A	1
2	peptide n-Y-c	2

Entities:

Entity 1, SH2 DOMAIN PROTEIN 1A 128 residues - Formula weight is not available

1

MET

ASP

ALA

VAL

ALA

VAL

TYR

HIS

GLY

LYS

2

ILE

SER

ARG

GLU

THR

GLY

GLU

LYS

LEU

3

LEU

ALA

THR

GLY

LEU

ASP

GLY

SER

TYR

LEU

4

LEU

ARG

ASP

SER

GLU

SER

VAL

PRO

GLY

VAL

5

TYR

CYS

LEU

CYS

VAL

LEU

TYR

HIS

GLY

TYR

6

ILE

TYR

THR

TYR

ARG

VAL

SER

GLN

THR

GLU

7

THR

GLY

SER

TRP

SER

ALA

GLU

THR

ALA

PRO

8

GLY

VAL

HIS

LYS

ARG

TYR

PHE

ARG

LYS

ILE

9

LYS

ASN

LEU

ILE

SER

ALA

PHE

GLN

LYS

PRO

10

ASP

GLN

GLY

ILE

VAL

ILE

PRO

LEU

GLN

TYR

11

PRO

VAL

GLU

LYS

SER

ALA

ARG

SER

12

THR

GLN

GLY

THR

GLY

ILE

ARG

GLU

ASP

13

PRO

ASP

VAL

CYS

LEU

LYS

ALA

PRO

Entity 2, peptide n-Y-c 12 residues - Formula weight is not available

1

ARG

LYS

SER

LEU

THR

ILE

TYR

ALA

GLN

VAL

2

GLN

LYS

Samples:

sample_1: SAP/SH2D1A, [U-15N; U-13C], 1 mM; peptide n-Y-c 1 mM; phosphate buffer 20 mM; NaCl 100 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 6.0; temperature: 303 K; ionic strength: 120 mM; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
3D 15N,13C-separated NOESY	not available	not available	not available
3D HNHB	not available	not available	not available
3D HN(CO)HB	not available	not available	not available

Software:

ARIA v1.0 - structure solution

NMRPipe v1.8 - processing

NMRView v3.0 - data analysis

NMR spectrometers:

Varian INOVA 600 MHz

SWISS-PROT	O60880
REF	XP_865096 NP_002342 NP_001028009
GenBank	AAK11578 AAH20732 AAC79712 AAC62631 AAC62630
EMBL	CAG46840 CAG46828 CAA19222 CAA18777
DBJ	BAG34852
PDB	1M27 1KA7 1KA6 1D4W 1D4T 1D1Z
BMRB	5212