BMRB Entry 30993

Name: Solution structure for Bartonella henselae BamE, a component of the beta-barrel assembly machinery complex. Seattle Structural Genomics Center for Infectious Disease target BaheA.17605.a
Published: 2022-02-25

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PDB ID: 7txx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30993
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: Solution structure for Bartonella henselae BamE, a component of the beta-barrel assembly machinery complex. Seattle Structural Genomics Center for Infectious Disease target BaheA.17605.a

Deposition date: 2022-02-10 Original release date: 2022-02-25

Authors: Buchko, G.; Seattle Structural Genomics Center for Infectious Disease (SSGCID), .

Citation: Buchko, G.; van Voorhis, W.; Myler, P.. "Structural characterization of Bartonella henselae BamE, a component of the beta-barrel assembly machinery complex" .

Assembly members:
entity_1, polymer, 147 residues, 16482.734 Da.

Natural source: Common Name: Bartonella henselae str. Houston-1 Taxonomy ID: 283166 Superkingdom: Bacteria Kingdom: not available Genus/species: Bartonella henselae

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21

Entity Sequences (FASTA):
entity_1: MAHHHHHHMGTLEAQTQGPG SMSSGSSQIYKEGYILDKNA LDSISIGSSQEQVILALGTP SLKTKYDNEVFYYISQTRYR GMQFMKTKIIDRKVLAIYFN KNDQVTKIANYGLQDGQVFD FIAQTTPTATKEQPLLIQII KGPANLP

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	480
15N chemical shifts	117
1H chemical shifts	662

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 147 residues - 16482.734 Da.

1

MET

ALA

HIS

MET

GLY

2

THR

LEU

GLU

ALA

GLN

THR

GLN

GLY

PRO

GLY

3

SER

MET

SER

GLY

SER

GLN

ILE

TYR

4

LYS

GLU

GLY

TYR

ILE

LEU

ASP

LYS

ASN

ALA

5

LEU

ASP

SER

ILE

SER

ILE

GLY

SER

GLN

6

GLU

GLN

VAL

ILE

LEU

ALA

LEU

GLY

THR

PRO

7

SER

LEU

LYS

THR

LYS

TYR

ASP

ASN

GLU

VAL

8

PHE

TYR

ILE

SER

GLN

THR

ARG

TYR

ARG

9

GLY

MET

GLN

PHE

MET

LYS

THR

LYS

ILE

10

ASP

ARG

LYS

VAL

LEU

ALA

ILE

TYR

PHE

ASN

11

LYS

ASN

ASP

GLN

VAL

THR

LYS

ILE

ALA

ASN

12

TYR

GLY

LEU

GLN

ASP

GLY

GLN

VAL

PHE

ASP

13

PHE

ILE

ALA

GLN

THR

PRO

THR

ALA

THR

14

LYS

GLU

GLN

PRO

LEU

ILE

GLN

ILE

15

LYS

GLY

PRO

ALA

ASN

LEU

PRO

Samples:

sample_1: BA5, [U-99% 13C; U-99% 15N], 1 ± 0.2 mM; sodium chloride 100 ± 2 mM; TRIS 20 ± 0.5 mM; DTT 1 ± 0.1 mM

sample_2: BA5, [U-99% 13C; U-99% 15N], 1 ± 0.2 mM; sodium chloride 100 ± 2 mM; TRIS 20 ± 0.5 mM; DTT 1 ± 0.1 mM

sample_3: BA5, [U-10% 13C; U-99% 15N], 1 ± 0.2 mM; sodium chloride 100 ± 2 mM; TRIS 20 ± 0.5 mM; DTT 1 ± 0.1 mM

sample_conditions_1: ionic strength: 120 mM; pH: 7; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	anisotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	anisotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	anisotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	anisotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	anisotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_3	anisotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	anisotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	anisotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	anisotropic	sample_conditions_1
3D HNCA	sample_1	anisotropic	sample_conditions_1
3D HNCACB	sample_1	anisotropic	sample_conditions_1
3D C(CO)NH	sample_1	anisotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	anisotropic	sample_conditions_1

Software:

Felix v2007, Accelrys Software Inc. - processing

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

NMRFAM-SPARKY v1.414, NMRFAM - data analysis, peak picking

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

PSVS v1.5, Bhattacharya and Montelione - data analysis

TALOS+, Talos - data analysis

NMR spectrometers:

Varian VXRS 750 MHz
Varian VXRS 600 MHz
Varian VXRS 800 MHz
Bruker AVANCE II 750 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts