BMRB Entry 5879

Name: Structure of a Type IVb pilin from Salmonella typhi and its assembly into pilus
Published: 2004-07-23

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PDB ID: 1q5f
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5879
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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:

Structure of a Type IVb pilin from Salmonella typhi and its assembly into pilus

Deposition date:

2003-07-23

Original release date:

2004-07-23

Authors:

Xu, Xing-Fu; Tan, Yih-Wan; Hackett, James; Zhang, Mingjie; Mok, Yu-Keung

Citation:

Citation: Xu, Xing-Fu; Tan, Yih-Wan; Lam, L.; Hackett, James; Zhang, Mingjie; Mok, Yu-Keung. "NMR Structure of a Type IVb pilin from Salmonella typhi and its assembly into pilus" J. Biol. Chem. ., .-. (2004).
PubMed: 15159389

Assembly members:

Assembly members:
S. typhi PilS, polymer, 156 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Salmonella typhi Taxonomy ID: 601 Superkingdom: Eubacteria Kingdom: not available Genus/species: Salmonella typhi

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
S. typhi PilS: MWGKKDAGTELTNYQTLATN TIGMMKGVDGYAFTSGAKMT DTLIQAGAAKGMTVSGDPAS GSATLWNSWGGQIVVAPDTA GGTGFNNGFTITTNKVPQSA CVSISTGMSRSGGTSGIKIN GNNHTDAKVTAEIASSECTA DNGRTGTNTLVFNYNG

Data sets:

assigned_chemical_shifts
- DBS_NUS_Pils

Data type	Count
13C chemical shifts	563
15N chemical shifts	152
1H chemical shifts	883

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	S.typhi type IVb pilin	1

Entities:

Entity 1, S.typhi type IVb pilin 156 residues - Formula weight is not available

1

MET

TRP

GLY

LYS

ASP

ALA

GLY

THR

GLU

2

LEU

THR

ASN

TYR

GLN

THR

LEU

ALA

THR

ASN

3

THR

ILE

GLY

MET

LYS

GLY

VAL

ASP

GLY

4

TYR

ALA

PHE

THR

SER

GLY

ALA

LYS

MET

THR

5

ASP

THR

LEU

ILE

GLN

ALA

GLY

ALA

LYS

6

GLY

MET

THR

VAL

SER

GLY

ASP

PRO

ALA

SER

7

GLY

SER

ALA

THR

LEU

TRP

ASN

SER

TRP

GLY

8

GLY

GLN

ILE

VAL

ALA

PRO

ASP

THR

ALA

9

GLY

THR

GLY

PHE

ASN

GLY

PHE

THR

10

ILE

THR

ASN

LYS

VAL

PRO

GLN

SER

ALA

11

CYS

VAL

SER

ILE

SER

THR

GLY

MET

SER

ARG

12

SER

GLY

THR

SER

GLY

ILE

LYS

ILE

ASN

13

GLY

ASN

HIS

THR

ASP

ALA

LYS

VAL

THR

14

ALA

GLU

ILE

ALA

SER

GLU

CYS

THR

ALA

15

ASP

ASN

GLY

ARG

THR

GLY

THR

ASN

THR

LEU

16

VAL

PHE

ASN

TYR

ASN

GLY

Samples:

sample_1: S. typhi PilS, [U-99% 13C; U-99% 15N], 1.0 mM; phosphate buffer 50 mM; Na2SO4 0.5 M

sample_2: S. typhi PilS, [U-99% 15N], 1.0 mM; phosphate buffer 50 mM; Na2SO4 0.5 M

sample_3: S. typhi PilS, [U-10% 13C], 1.0 mM; phosphate buffer 50 mM; Na2SO4 0.5 M

Ex-cond_1: ionic strength: 0.5 M; pH: 6.0 na; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H-15N HSQC	not available	not available	not available
HNCACB	not available	not available	not available
CBCA(CO)NH	not available	not available	not available
HNCO	not available	not available	not available
HN(CA)CO	not available	not available	not available
CC(C0)NH	not available	not available	not available
H(CCO)NH	not available	not available	not available
HCCH-TOCSY	not available	not available	not available
1H-13C CT HSQC	not available	not available	not available

Software:

NMRPipe -

NMR spectrometers:

Bruker DRX 500 MHz
Varian Inova 750 MHz

PDB	1Q5F
EMBL	CAD09325
GenBank	AAC98887 AAF81215 AAO71706 AAP83037
PIR	AD1028
REF	NP_458635 NP_807846