BMRB Entry 4961

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4961

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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:

1H, 15N and 13C assignments of the N-terminal domain of Yersinia outer protein H in its apo form and in complex with a phosphotyrosine peptide representing the putative binding site on host protein target p130Cas

Deposition date:

2001-02-22

Original release date:

2001-09-27

Authors:

Khandelwal, Purnima; Keliikuli, Kai; Smith, Craig; Saper, Mark; Zuiderweg, Erik

Citation:

Citation: Khandelwal, Purnima; Keliikuli, Kai; Smith, Craig; Saper, Mark; Zuiderweg, Erik. "Letter to the Editor: 1H, 15N and 13C assignments of the N-terminal domain of Yersinia outer protein H in its apo form and in complex with a phosphotyrosine peptide" J. Biomol. NMR 21, 69-70 (2001).

Assembly members:

Assembly members:
Yersinia outer protein H, polymer, 136 residues, 15000 Da.
DEpYDDPF, polymer, 7 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Yersinia pestis Taxonomy ID: 632 Superkingdom: Bacteria Kingdom: not available Genus/species: Yersinia pestis

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Yersinia outer protein H: MNLSLSDLHRQVSRLVQQES GDCTGKLRGNVAANKETTFQ GLTIASGARESEKVFAQTVL SHVANVVLTQEDTAKLLQST VKHNLNNYDLRSVGNGNSVL VSLRSDQMTLQDAKVLLEAA LRQESGARGSHHHHHH
DEpYDDPF: DEXDDPF

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
13C chemical shifts	479
15N chemical shifts	123
1H chemical shifts	647

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	YopH subunit 1	1
2	phosphotyrosine peptide	2

Entities:

Entity 1, YopH subunit 1 136 residues - 15000 Da.

1

MET

ASN

LEU

SER

LEU

SER

ASP

LEU

HIS

ARG

2

GLN

VAL

SER

ARG

LEU

VAL

GLN

GLU

SER

3

GLY

ASP

CYS

THR

GLY

LYS

LEU

ARG

GLY

ASN

4

VAL

ALA

ASN

LYS

GLU

THR

PHE

GLN

5

GLY

LEU

THR

ILE

ALA

SER

GLY

ALA

ARG

GLU

6

SER

GLU

LYS

VAL

PHE

ALA

GLN

THR

VAL

LEU

7

SER

HIS

VAL

ALA

ASN

VAL

LEU

THR

GLN

8

GLU

ASP

THR

ALA

LYS

LEU

GLN

SER

THR

9

VAL

LYS

HIS

ASN

LEU

ASN

TYR

ASP

LEU

10

ARG

SER

VAL

GLY

ASN

GLY

ASN

SER

VAL

LEU

11

VAL

SER

LEU

ARG

SER

ASP

GLN

MET

THR

LEU

12

GLN

ASP

ALA

LYS

VAL

LEU

GLU

ALA

13

LEU

ARG

GLN

GLU

SER

GLY

ALA

ARG

GLY

SER

14

HIS

Entity 2, phosphotyrosine peptide 7 residues - Formula weight is not available

1

ASP

GLU

PTR

ASP

PRO

PHE

Samples:

sample_1: Yersinia outer protein H, [U-13C; U-15N], 0.6 – 0.9 mM; DEpYDDPF0.6 – 0.9 mM

cond_set_1: pH: 6.5; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
HNCA	sample_1	not available	cond_set_1
HN(CO)CA	sample_1	not available	cond_set_1
HNCO	sample_1	not available	cond_set_1
HN(CA)CO	sample_1	not available	cond_set_1
HNCACB	sample_1	not available	cond_set_1
HN(CA)HA	sample_1	not available	cond_set_1
(H)CCH TOCSY	sample_1	not available	cond_set_1
HCCH TOCSY	sample_1	not available	cond_set_1
13C NOESY	sample_1	not available	cond_set_1
15N NOESY	sample_1	not available	cond_set_1

Software:

NMRPipe -

NMRView -

XEASY -

NMR spectrometers:

Bruker AMX 500 MHz
Varian Inova 800 MHz