BMRB Entry 27313

Name: HusA from porphyromonas gingivalis
Published: 2018-10-02

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PDB ID: 6bqs
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR27313
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:

HusA from porphyromonas gingivalis

Deposition date:

2017-11-14

Original release date:

2018-10-02

Authors:

Gell, David; Kwan, Ann

Citation:

Citation: Gao, Jin-Long; Kwan, Ann; Yammine, Anthony; Zhou, Xiaoyan; Trewhella, Jill; Hugrass, Barbara; Collins, Daniel; Horne, James; Ye, Ping; Harty, Derek; Nguyen, Ky-Anh; Gell, David; Hunter, Neil. "Structural properties of a haemophore facilitate targeted elimination of the pathogen Porphyromonas gingivalis" Nat. Commun. 9, 4097-4097 (2018).
PubMed: 30291238

Assembly members:

Assembly members:
HusA, polymer, 201 residues, 21726.6 Da.

Natural source:

Natural source: Common Name: Porphyromonas gingivalis Taxonomy ID: 837 Superkingdom: Bacteria Kingdom: not available Genus/species: Porphyromonas gingivalis

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HusA: MGQGTAYAEVMNRKVAALDS VPPTEYATLAADFSRIAAVE GSDWMAAYYTAYCRIIPAFG NPSEADRLCEEAESMLSKAE SLGGDLSEIACLRSMAASAR LLVNPQERWQTYGAESSRQL AVALEANPANPRAYFLQAQS LLYTPAQFGGGKDKALPFAE KSVSCYAAATVSPAYAPHWG EQQARQLLMLCKAETQELVP R

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	622
15N chemical shifts	201
1H chemical shifts	1333

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HusA trans-Pro200	1
2	HusA cis-Pro200	1

Entities:

Entity 1, HusA trans-Pro200 201 residues - 21726.6 Da.

Residues 1, 2 are from the expression vector. Residues 3 to 196 correspond to UniProt: Q7MSY3, residues 24-217 Porphyromonas gingivalis gene PG_2227 Residues 197-201 are derived from the expression vector

1

MET

GLY

GLN

GLY

THR

ALA

TYR

ALA

GLU

VAL

2

MET

ASN

ARG

LYS

VAL

ALA

LEU

ASP

SER

3

VAL

PRO

THR

GLU

TYR

ALA

THR

LEU

ALA

4

ALA

ASP

PHE

SER

ARG

ILE

ALA

VAL

GLU

5

GLY

SER

ASP

TRP

MET

ALA

TYR

THR

6

ALA

TYR

CYS

ARG

ILE

PRO

ALA

PHE

GLY

7

ASN

PRO

SER

GLU

ALA

ASP

ARG

LEU

CYS

GLU

8

GLU

ALA

GLU

SER

MET

LEU

SER

LYS

ALA

GLU

9

SER

LEU

GLY

ASP

LEU

SER

GLU

ILE

ALA

10

CYS

LEU

ARG

SER

MET

ALA

SER

ALA

ARG

11

LEU

VAL

ASN

PRO

GLN

GLU

ARG

TRP

GLN

12

THR

TYR

GLY

ALA

GLU

SER

ARG

GLN

LEU

13

ALA

VAL

ALA

LEU

GLU

ALA

ASN

PRO

ALA

ASN

14

PRO

ARG

ALA

TYR

PHE

LEU

GLN

ALA

GLN

SER

15

LEU

TYR

THR

PRO

ALA

GLN

PHE

GLY

16

GLY

LYS

ASP

LYS

ALA

LEU

PRO

PHE

ALA

GLU

17

LYS

SER

VAL

SER

CYS

TYR

ALA

THR

18

VAL

SER

PRO

ALA

TYR

ALA

PRO

HIS

TRP

GLY

19

GLU

GLN

ALA

ARG

GLN

LEU

MET

LEU

20

CYS

LYS

ALA

GLU

THR

GLN

GLU

LEU

VAL

PRO

21

ARG

Samples:

sample_1: HusA, [U-13C; U-15N], 0.9 mM; sodium phosphate 10 mM; DSS 20 uM

sample_2: HusA, [U-13C; U-15N], 0.9 mM; sodium phosphate 10 mM; DSS 20 uM

sample_3: HusA 0.9 mM; sodium phosphate 10 mM; DSS 20 uM

sample_4: HusA 0.9 mM; sodium phosphate 10 mM; DSS 20 uM

sample_conditions_1: ionic strength: 0.01 M; pH: 6.9; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0.01 M; pH: 6.9; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBCBCGCDHD	sample_1	isotropic	sample_conditions_1
3D HBCBCGCDHDCEHE	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_4	isotropic	sample_conditions_2
2D 1H-1H COSY	sample_4	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_4	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_3	isotropic	sample_conditions_2
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_2
3D CCH-TOCSY	sample_2	isotropic	sample_conditions_2
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_2
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_2
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_2
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_2
3D 1H-13C NOESY aromatic	sample_2	isotropic	sample_conditions_2

Software:

TOPSPIN v3.1, Bruker Biospin - collection, processing

SPARKY v3.115, Goddard - chemical shift assignment

TALOS vTalos+, Cornilescu, Delaglio and Bax - chemical shift calculation

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure solution

X-PLOR_NIH v2.45, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz
Bruker Avance 600 MHz

NCBI	PG_RS09910
GB	AAQ67167.1