BMRB Entry 18632

Name: Resonance assignment of As-p18, a structurally unusual fatty acid binding protein secreted by developing larvae of the parasitic nematode Ascaris suum
Published: 2013-02-12

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PDB ID: 6i9f
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR18632
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:

Resonance assignment of As-p18, a structurally unusual fatty acid binding protein secreted by developing larvae of the parasitic nematode Ascaris suum

Deposition date:

2012-08-01

Original release date:

2013-02-12

Authors:

Ibanez Shimabukuro, Marina; Smith, Brian; Rey Burusco, M Florencia; Corsico, Betina; Kennedy, Malcolm; Cooper, Alan

Citation:

Citation: Ibanez-Shimabukuro, Marina; Rey-Burusco, M. Florencia; Cooper, Alan; Kennedy, Malcolm; Corsico, Betina; Smith, Brian. "Resonance assignment of As-p18, a fatty acid binding protein secreted by developing larvae of the parasitic nematode Ascaris suum." Biomol. NMR Assignments 8, 33-36 (2014).
PubMed: 23225165

Assembly members:

Assembly members:
rAs-p18, polymer, 155 residues, 18320.5283 Da.
entity_OLA, non-polymer, 282.461 Da.

Natural source:

Natural source: Common Name: Ascaris suum Taxonomy ID: 6253 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Ascaris suum

Experimental source:

Experimental source: Production method: recombinant technology Vector: pQE-30

Entity Sequences (FASTA):

Entity Sequences (FASTA):
rAs-p18: MRGSHHHHHHGSKTLPDKFL GTFKLERDENFDEYLKARGY GWIMRQVIKLAGVTKKFRNA ASGKPDRYDMENLTTKKDTH HKDWALGEEFQDEALDSTQH KITFDLKDPNTLTETHIKVD DPTDVETYEYRRDGDYLVMK MSWKGVSTSRYYKKQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
- assigned_chem_shift_list_1_2
spectral_peak_list

Data type	Count
13C chemical shifts	1190
15N chemical shifts	300
1H chemical shifts	2060

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	rAs-p18	1
2	Oleic Acid	2

Entities:

Entity 1, rAs-p18 155 residues - 18320.5283 Da.

1

MET

ARG

GLY

SER

HIS

2

GLY

SER

LYS

THR

LEU

PRO

ASP

LYS

PHE

LEU

3

GLY

THR

PHE

LYS

LEU

GLU

ARG

ASP

GLU

ASN

4

PHE

ASP

GLU

TYR

LEU

LYS

ALA

ARG

GLY

TYR

5

GLY

TRP

ILE

MET

ARG

GLN

VAL

ILE

LYS

LEU

6

ALA

GLY

VAL

THR

LYS

PHE

ARG

ASN

ALA

7

ALA

SER

GLY

LYS

PRO

ASP

ARG

TYR

ASP

MET

8

GLU

ASN

LEU

THR

LYS

ASP

THR

HIS

9

HIS

LYS

ASP

TRP

ALA

LEU

GLY

GLU

PHE

10

GLN

ASP

GLU

ALA

LEU

ASP

SER

THR

GLN

HIS

11

LYS

ILE

THR

PHE

ASP

LEU

LYS

ASP

PRO

ASN

12

THR

LEU

THR

GLU

THR

HIS

ILE

LYS

VAL

ASP

13

ASP

PRO

THR

ASP

VAL

GLU

THR

TYR

GLU

TYR

14

ARG

ASP

GLY

ASP

TYR

LEU

VAL

MET

LYS

15

MET

SER

TRP

LYS

GLY

VAL

SER

THR

SER

ARG

16

TYR

LYS

GLN

Entity 2, Oleic Acid - C18 H34 O2 - 282.461 Da.

1

OLA

Samples:

NC005Asp18: rAs-p18, [U-99% 13C; U-99% 15N], 400.0 mM; Sodium phosphate buffer 20.0 mM

Asp18: Oleic Acid 2000.0 mM; rAs-p18, [U-99% 13C; U-99% 15N], 500.0 mM; Sodium phosphate buffer 20.0 mM

NC_noHPLC_Asp18: rAs-p18, [U-99% 13C; U-99% 15N], 500.0 mM; Sodium phosphate buffer 60.0 mM

Asp18_noHPLC: ionic strength: 60.000 mM; pH: 7.400; pressure: 1.000 atm; temperature: 297.700 K

Asp18NC005: ionic strength: 0.020 M; pH: 7.200; pressure: 1.000 atm; temperature: 298.000 K

Asp18NC007: ionic strength: 0.020 M; pH: 7.400; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	NC_noHPLC_Asp18	isotropic	Asp18_noHPLC
CBCACONH ({CA\|Cca}coNH)	NC_noHPLC_Asp18	isotropic	Asp18_noHPLC
3D HNCACB	NC_noHPLC_Asp18	isotropic	Asp18_noHPLC
HNCACO (H[N[ca[CO]]])	NC_noHPLC_Asp18	isotropic	Asp18_noHPLC
3D HBHA(CO)NH	NC_noHPLC_Asp18	isotropic	Asp18_noHPLC
2D 1H-15N HSQC/HMQC	NC005Asp18	isotropic	Asp18NC005
3D HCCH-TOCSY	NC_noHPLC_Asp18	isotropic	Asp18_noHPLC
3D 1H-13C NOESY	NC005Asp18	isotropic	Asp18NC005
2D 1H-13C HSQC/HMQC	NC005Asp18	isotropic	Asp18NC005
2D 1H-15N HSQC/HMQC	Asp18	isotropic	Asp18NC007
Arom32HD (hbCBcgcdHD)	Asp18	isotropic	Asp18NC007
Arom33HE (hbCBcgcdceHE)	Asp18	isotropic	Asp18NC007
3D 1H-15N NOESY	Asp18	isotropic	Asp18NC007
mxen HCCH (hC_CH.relayed)	NC005Asp18	isotropic	Asp18NC005
2D 1H-13C HSQC/HMQC	Asp18	isotropic	Asp18NC007

Software:

ANALYSIS v2.0, CCPN - data analysis

CcpNmr_Entry_Completion_Interface v2.1, PDBe & CCPN - data deposition

DANGLE v1.1, Cheung & Broadhurst - dihedral angle prediction

NMR spectrometers:

Bruker Avance 600 MHz

GenBank	AAA98565.1
GB	AAA98565
SP	P55776
AlphaFold	P55776