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BMRB: 15371

2JSO

antimicrobial resistance protein

Authors

Jin, C., Fu, W.

Assembly

antimicrobial resistance protein

Entity

1. antimicrobial resistance protein (polymer), 88 monomers, 9870.413 Da Detail

MEWLVKKSCC NKQDNRHVLM LCDAGGAIKM IAEVKSDFAV KVGDLLSPLQ NALYCINREK LHTVKVLSAS SYSPDEWERQ CKVAGKTQ

Formula weight

9870.413 Da

Source organism

Escherichia coli

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 92.2 %, Completeness (bb): 99.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.2 % (950 of 1030)	90.5 % (487 of 538)	92.9 % (368 of 396)	99.0 % (95 of 96)
Backbone	99.2 % (520 of 524)	98.3 % (175 of 178)	100.0 % (260 of 260)	98.8 % (85 of 86)
Sidechain	87.1 % (514 of 590)	86.7 % (312 of 360)	87.3 % (192 of 220)	100.0 % (10 of 10)
Aromatic	32.8 % (19 of 58)	58.6 % (17 of 29)	0.0 % (0 of 27)	100.0 % (2 of 2)
Methyl	96.9 % (95 of 98)	95.9 % (47 of 49)	98.0 % (48 of 49)

1. antimicrobial resistance protein

MEWLVKKSCC NKQDNRHVLM LCDAGGAIKM IAEVKSDFAV KVGDLLSPLQ NALYCINREK LHTVKVLSAS SYSPDEWERQ CKVAGKTQ

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	antimicrobial resistance protein	[U-100% 15N]		1 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
2	antimicrobial resistance protein	[U-100% 13C; U-100% 15N]		1 mM

LACS Plot; CA

Referencing offset: -0.17 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: -0.17 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: -0.12 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: 0.46 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 21 models in PDB: 2JSO, Strand ID: A Detail

Release date

2008-08-17

Citation

First structure of the polymyxin resistance proteins
Fu, W., Yang, F., Kang, X., Zhang, X., Li, Y., Xia, B., Jin, C.
Biochem. Biophys. Res. Commun. (2007), 361, 1033-1037, PubMed 17686460 , DOI 10.1016/j.bbrc.2007.07.144 , Abstract

Related entities 1. antimicrobial resistance protein, : 1 : 3 : 2 entities Detail

Interaction partners 1. antimicrobial resistance protein, : 2 interactors Detail

More details for 2 interactors identified by 2 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	antimicrobial resistance protein	[U-100% 15N]		1 mM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
2	antimicrobial resistance protein	[U-100% 13C; U-100% 15N]		1 mM

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
2	antimicrobial resistance protein	[U-100% 13C; U-100% 15N]		1 mM

4 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
2	antimicrobial resistance protein	[U-100% 13C; U-100% 15N]		1 mM

5 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
2	antimicrobial resistance protein	[U-100% 13C; U-100% 15N]		1 mM

6 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
2	antimicrobial resistance protein	[U-100% 13C; U-100% 15N]		1 mM

7 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
2	antimicrobial resistance protein	[U-100% 13C; U-100% 15N]		1 mM

8 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
2	antimicrobial resistance protein	[U-100% 13C; U-100% 15N]		1 mM

9 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
2	antimicrobial resistance protein	[U-100% 13C; U-100% 15N]		1 mM

10 3D HNHA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
2	antimicrobial resistance protein	[U-100% 13C; U-100% 15N]		1 mM

11 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
2	antimicrobial resistance protein	[U-100% 13C; U-100% 15N]		1 mM

12 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
2	antimicrobial resistance protein	[U-100% 13C; U-100% 15N]		1 mM

13 3D HCCH-COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
2	antimicrobial resistance protein	[U-100% 13C; U-100% 15N]		1 mM

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_15371_2jso.nef
Input source #2: Coordindates	2jso.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70--------80--------
MEWLVKKSCCNKQDNRHVLMLCDAGGAIKMIAEVKSDFAVKVGDLLSPLQNALYCINREKLHTVKVLSASSYSPDEWERQCKVAGKTQ
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MEWLVKKSCCNKQDNRHVLMLCDAGGAIKMIAEVKSDFAVKVGDLLSPLQNALYCINREKLHTVKVLSASSYSPDEWERQCKVAGKTQ

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	88	0	0	100.0

Content subtype: combined_15371_2jso.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	958		100.0 (chain: A, length: 88)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Warning	10771 (1)	noe	100.0 (chain: A, length: 88)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 88, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 495
  - ¹³C chemical shifts: 368
  - ¹⁵N chemical shifts: 95
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- 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: A

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 88, Sequence coverage: 100.0%
- Total number of restraints: 10236
- Weight of restraints: 1.0 (10236)
- Potential type of restraints: upper-bound-parabolic (10236)
- Range of distance target values: 0.0, 7.0 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Keywords protein