BMRB Entry 5225

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PDB ID: 1jns
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5225
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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:

Solution Structure of the Peptidyl-Prolyl-cis/trans-Isomerase Parvulin 10 of Escherichia coli

Deposition date:

2001-11-30

Original release date:

2003-06-09

Authors:

Kuhlewein, Angelika; Voll, Georg; Schelbert, Birte; Kessler, Horst; Fischer, Gunter; Rahfeld, Jens; Gemmecker, Gerd

Citation:

Citation: Kuhlewein, Angelika; Voll, Georg; Schelbert, Birte; Kessler, Horst; Fischer, Gunter; Rahfeld, Jens; Gemmecker, Gerd. "Solution Structure of the Peptidyl-Prolyl-cis/trans-Isomerase Parvulin 10 of Escherichia coli " J. Mol. Biol. ., .-..

Assembly members:

Assembly members:
Parvulin 10, polymer, 92 residues, 10101 Da.

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pSEP612

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Parvulin 10: AKTAAALHILVKEEKLALDL LEQIKNGADFGKLAKKHSIC PSGKRGGDLGEFRQGQMVPA FDKVVFSCPVLEPTGPLHTQ FGYHIIKVLYRN

Data sets:

assigned_chemical_shifts
- shift_set_1
coupling_constants
- coupling_constants_set_1

Data type	Count
1H chemical shifts	621
13C chemical shifts	408
15N chemical shifts	89
coupling constants	69

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	parvulin 10	1

Entities:

Entity 1, parvulin 10 92 residues - 10101 Da.

1

ALA

LYS

THR

ALA

LEU

HIS

ILE

LEU

2

VAL

LYS

GLU

LYS

LEU

ALA

LEU

ASP

LEU

3

LEU

GLU

GLN

ILE

LYS

ASN

GLY

ALA

ASP

PHE

4

GLY

LYS

LEU

ALA

LYS

HIS

SER

ILE

CYS

5

PRO

SER

GLY

LYS

ARG

GLY

ASP

LEU

GLY

6

GLU

PHE

ARG

GLN

GLY

GLN

MET

VAL

PRO

ALA

7

PHE

ASP

LYS

VAL

PHE

SER

CYS

PRO

VAL

8

LEU

GLU

PRO

THR

GLY

PRO

LEU

HIS

THR

GLN

9

PHE

GLY

TYR

HIS

ILE

LYS

VAL

LEU

TYR

10

ARG

ASN

Samples:

sample_1: Parvulin 10, [U-15N], 0.8 mM; KCl 100 mM; phosphate buffer 10 mM

sample_2: Parvulin 10, [U-13C; U-15N], 0.8 mM; KCl 100 mM; phosphate buffer 10 mM

conditions_1: pH: 6.0; temperature: 297.6 K; ionic strength: 0.13 M

Experiments:

Name	Sample	Sample state	Sample conditions
1H-15N HSQC	not available	not available	not available
1H-13C HSQC	not available	not available	not available
HNCACB	not available	not available	not available
CBCA(CO)NH	not available	not available	not available
HA(CACO)NH	not available	not available	not available
HNCO	not available	not available	not available
HNHA	not available	not available	not available
3D HCCH-COSY	not available	not available	not available
3D HCCH-TOCSY	not available	not available	not available
3D 15N-edited TOCSY	not available	not available	not available
(H)CC(CO)NH	not available	not available	not available
MEXICO	not available	not available	not available
3D 15N-edited NOESY	not available	not available	not available
3D 13C-edited NOESY	not available	not available	not available
3D double 13C-edited NOESY	not available	not available	not available
3D 13C,15N-edited NOESY	not available	not available	not available

Software:

XWINNMR v2.6 - data acquisition, data processing

SYBYL_TRIAD v6.6 - peak picking, NOE assignment

PASTA v1.0/2.0/3.0b - sequential backbone assignment

NMR spectrometers:

BRUKER DMX 600 MHz
BRUKER DMX 750 MHz

PDB	1JNS 1JNT
DBJ	BAB38132 BAE77522 BAG79582 BAI27969 BAI33092
EMBL	CAP78224 CAQ34119 CAQ91187 CAR00747 CAR05395
GB	AAA67578 AAB32054 AAC76780 AAG58970 AAN45287
REF	NP_290406 NP_312736 NP_418223 NP_709580 NP_756555
SP	P0A9L5 P0A9L6 P0A9L7
AlphaFold	P0A9L5 P0A9L6 P0A9L7 P0A9L5 P0A9L6 P0A9L7