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Found 1 Document (0.343 seconds)

BMRB: 30993

7TXX

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

Authors

Buchko, G.W., Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Assembly

BA5

Entity

1. BA5 (polymer, Thiol state: not present), 147 monomers, 16462.55 Da Detail

MAHHHHHHMG TLEAQTQGPG SMSSGSSQIY KEGYILDKNA LDSISIGSSQ EQVILALGTP SLKTKYDNEV FYYISQTRYR GMQFMKTKII DRKVLAIYFN KNDQVTKIAN YGLQDGQVFD FIAQTTPTAT KEQPLLIQII KGPANLP

Formula weight

16462.55 Da

Source organism

Bartonella henselae str. Houston-1

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 87.1 %, Completeness: 66.9 %, Completeness (bb): 76.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	66.9 % (1165 of 1742)	61.3 % (555 of 905)	72.7 % (490 of 674)	73.6 % (120 of 163)
Backbone	76.7 % (667 of 870)	75.6 % (226 of 299)	77.0 % (331 of 430)	78.0 % (110 of 141)
Sidechain	60.5 % (610 of 1008)	54.3 % (329 of 606)	71.3 % (271 of 380)	45.5 % (10 of 22)
Aromatic	45.7 % (63 of 138)	47.8 % (33 of 69)	43.5 % (30 of 69)
Methyl	81.9 % (131 of 160)	80.0 % (64 of 80)	83.7 % (67 of 80)

1. entity 1

MAHHHHHHMG TLEAQTQGPG SMSSGSSQIY KEGYILDKNA LDSISIGSSQ EQVILALGTP SLKTKYDNEV FYYISQTRYR GMQFMKTKII DRKVLAIYFN KNDQVTKIAN YGLQDGQVFD FIAQTTPTAT KEQPLLIQII KGPANLP

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2), Details 1 mM [U-99% 13C; U-99% 15N] BA5, 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
1	BA5	[U-99% 13C; U-99% 15N]	1 (±0.2) mM
2	sodium chloride	natural abundance	100 (±2.0) mM
3	TRIS	natural abundance	20 (±0.5) mM
4	DTT	natural abundance	1 (±0.1) mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2), Details 1 mM [U-99% 13C; U-99% 15N] BA5, 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 100% D2O

#	Name	Isotope labeling	Concentration
5	BA5	[U-99% 13C; U-99% 15N]	1 (±0.2) mM
6	sodium chloride	natural abundance	100 (±2.0) mM
7	TRIS	natural abundance	20 (±0.5) mM
8	DTT	natural abundance	1 (±0.1) mM

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2), Details 1 mM [U-10% 13C; U-99% 15N] BA5, 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
9	BA5	[U-10% 13C; U-99% 15N]	1 (±0.2) mM
10	sodium chloride	natural abundance	100 (±2.0) mM
11	TRIS	natural abundance	20 (±0.5) mM
12	DTT	natural abundance	1 (±0.1) mM

Release date

2022-02-22

Citation

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

Related entities 1. BA5, : 1 : 1 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian VXRS - 750 MHz

Sample

State anisotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2), Details 1 mM [U-99% 13C; U-99% 15N] BA5, 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
1	BA5	[U-99% 13C; U-99% 15N]	1 (±0.2) mM
2	sodium chloride	natural abundance	100 (±2.0) mM
3	TRIS	natural abundance	20 (±0.5) mM
4	DTT	natural abundance	1 (±0.1) mM

2 2D 1H-13C HSQC aliphatic

Instrument

Varian VXRS - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	BA5	[U-99% 13C; U-99% 15N]	1 (±0.2) mM
2	sodium chloride	natural abundance	100 (±2.0) mM
3	TRIS	natural abundance	20 (±0.5) mM
4	DTT	natural abundance	1 (±0.1) mM

3 2D 1H-13C HSQC aromatic

Instrument

Varian VXRS - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	BA5	[U-99% 13C; U-99% 15N]	1 (±0.2) mM
2	sodium chloride	natural abundance	100 (±2.0) mM
3	TRIS	natural abundance	20 (±0.5) mM
4	DTT	natural abundance	1 (±0.1) mM

4 3D 1H-13C NOESY aliphatic

Instrument

Varian VXRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	BA5	[U-99% 13C; U-99% 15N]	1 (±0.2) mM
2	sodium chloride	natural abundance	100 (±2.0) mM
3	TRIS	natural abundance	20 (±0.5) mM
4	DTT	natural abundance	1 (±0.1) mM

5 3D 1H-13C NOESY aromatic

Instrument

Varian VXRS - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	BA5	[U-99% 13C; U-99% 15N]	1 (±0.2) mM
2	sodium chloride	natural abundance	100 (±2.0) mM
3	TRIS	natural abundance	20 (±0.5) mM
4	DTT	natural abundance	1 (±0.1) mM

6 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE II - 750 MHz

Sample

State anisotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2), Details 1 mM [U-10% 13C; U-99% 15N] BA5, 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
9	BA5	[U-10% 13C; U-99% 15N]	1 (±0.2) mM
10	sodium chloride	natural abundance	100 (±2.0) mM
11	TRIS	natural abundance	20 (±0.5) mM
12	DTT	natural abundance	1 (±0.1) mM

7 2D 1H-15N HSQC

Instrument

Varian VXRS - 600 MHz

Sample

State anisotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2), Details 1 mM [U-99% 13C; U-99% 15N] BA5, 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 100% D2O

#	Name	Isotope labeling	Concentration
5	BA5	[U-99% 13C; U-99% 15N]	1 (±0.2) mM
6	sodium chloride	natural abundance	100 (±2.0) mM
7	TRIS	natural abundance	20 (±0.5) mM
8	DTT	natural abundance	1 (±0.1) mM

8 3D HCCH-TOCSY

Instrument

Varian VXRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
5	BA5	[U-99% 13C; U-99% 15N]	1 (±0.2) mM
6	sodium chloride	natural abundance	100 (±2.0) mM
7	TRIS	natural abundance	20 (±0.5) mM
8	DTT	natural abundance	1 (±0.1) mM

9 3D 1H-15N TOCSY

Instrument

Varian VXRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	BA5	[U-99% 13C; U-99% 15N]	1 (±0.2) mM
2	sodium chloride	natural abundance	100 (±2.0) mM
3	TRIS	natural abundance	20 (±0.5) mM
4	DTT	natural abundance	1 (±0.1) mM

10 3D HNCA

Instrument

Varian VXRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	BA5	[U-99% 13C; U-99% 15N]	1 (±0.2) mM
2	sodium chloride	natural abundance	100 (±2.0) mM
3	TRIS	natural abundance	20 (±0.5) mM
4	DTT	natural abundance	1 (±0.1) mM

11 3D HNCACB

Instrument

Varian VXRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	BA5	[U-99% 13C; U-99% 15N]	1 (±0.2) mM
2	sodium chloride	natural abundance	100 (±2.0) mM
3	TRIS	natural abundance	20 (±0.5) mM
4	DTT	natural abundance	1 (±0.1) mM

12 3D C(CO)NH

Instrument

Varian VXRS - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	BA5	[U-99% 13C; U-99% 15N]	1 (±0.2) mM
2	sodium chloride	natural abundance	100 (±2.0) mM
3	TRIS	natural abundance	20 (±0.5) mM
4	DTT	natural abundance	1 (±0.1) mM

13 3D 1H-15N NOESY

Instrument

Varian VXRS - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	BA5	[U-99% 13C; U-99% 15N]	1 (±0.2) mM
2	sodium chloride	natural abundance	100 (±2.0) mM
3	TRIS	natural abundance	20 (±0.5) mM
4	DTT	natural abundance	1 (±0.1) mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30993_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr30993_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1259		86.4 (chain: 1, length: 147)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 147, Sequence coverage: 86.4%
- Total number of assignments
  - ¹H chemical shifts: 662
  - ¹³C chemical shifts: 480
  - ¹⁵N chemical shifts: 117
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	905	534	59.0
¹³C chemical shifts	674	480	71.2
¹⁵N chemical shifts	163	117	71.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	299	223	74.6
¹³C chemical shifts	294	215	73.1
¹⁵N chemical shifts	141	107	75.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	606	311	51.3
¹³C chemical shifts	380	265	69.7
¹⁵N chemical shifts	22	10	45.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	85	64	75.3
¹³C chemical shifts	85	68	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	69	32	46.4
¹³C chemical shifts	69	30	43.5

Keywords Bam complex, PROTEIN BINDING, SSGCID, Seattle Structural Genomics Center for Infectious Disease, Structural Genomics, outer membrane biogenesis

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Found 1 Document (0.343 seconds)

BMRB: 30993

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Related entities 1. BA5, : 1 : 1 entities Detail

Experiments performed 13 experiments Detail

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Chemical shift validation 3 contents Detail