BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	89.7 % (1275 of 1422)	92.2 % (677 of 734)	85.2 % (478 of 561)	94.5 % (120 of 127)
Backbone	91.5 % (670 of 732)	94.1 % (238 of 253)	88.9 % (321 of 361)	94.1 % (111 of 118)
Sidechain	88.9 % (714 of 803)	91.3 % (439 of 481)	85.0 % (266 of 313)	100.0 % (9 of 9)
Aromatic	76.2 % (96 of 126)	90.5 % (57 of 63)	60.7 % (37 of 61)	100.0 % (2 of 2)
Methyl	84.5 % (120 of 142)	85.9 % (61 of 71)	83.1 % (59 of 71)

1. NP 253742.1

GMRIPSAIQL HKASKTLTLR YGEDSYDLPA EFLRVHSPSA EVQGHGNPVL QYGKLNVGLV GVEPAGQYAL KLSFDDGHDS GLFTWDYLYE LATRKDQLWA DYLAELASAG KSRDPDESVV KLML

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.2mM [U-98% 13C; U-98% 15N]protein-NP_253742.1, 50mM NaCl, 20mM Sodium Phosphate, 4.5 mM sodium azide, 95% H20/5%D20

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	protein-NP_253742.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.16 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.16 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.05 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.22 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L6P, Strand ID: A Detail

Release date

2010-12-15

Citation

NMR solution structure of the protein NP_253742.1
Mohanty, B., Serrano, P., Geralt, M., Horst, R., Wuthrich, K.
Not known

Related entities 1. NP 253742.1, : 1 : 4 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.2mM [U-98% 13C; U-98% 15N]protein-NP_253742.1, 50mM NaCl, 20mM Sodium Phosphate, 4.5 mM sodium azide, 95% H20/5%D20

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	protein-NP_253742.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	protein-NP_253742.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

3 4D APSY-HACANH

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	protein-NP_253742.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

4 5D APSY-HACACONH

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	protein-NP_253742.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

5 5D APSY-CBCACONH

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	protein-NP_253742.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

6 15N resolved [1H,1H]-NOESY

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	protein-NP_253742.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

7 13Cali resolved [1H,1H]-NOESY

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	protein-NP_253742.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

8 13Caro resolved [1H,1H]-NOESY

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	protein-NP_253742.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

9 15 N {1H} - NOE

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	50 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	4.5 mM
4	protein-NP_253742.1	[U-98% 13C; U-98% 15N]	1.2 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_17319_2l6p.nef
Input source #2: Coordindates	2l6p.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--------90-------100
GMRIPSAIQLHKASKTLTLRYGEDSYDLPAEFLRVHSPSAEVQGHGNPVLQYGKLNVGLVGVEPAGQYALKLSFDDGHDSGLFTWDYLYELATRKDQLWA
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GMRIPSAIQLHKASKTLTLRYGEDSYDLPAEFLRVHSPSAEVQGHGNPVLQYGKLNVGLVGVEPAGQYALKLSFDDGHDSGLFTWDYLYELATRKDQLWA

-------110-------120----
DYLAELASAGKSRDPDESVVKLML
||||||||||||||||||||||||
DYLAELASAGKSRDPDESVVKLML

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	124	0	0	100.0

Content subtype: combined_17319_2l6p.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1295		97.6 (chain: A, length: 124)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	2316 (1)	noe	96.0 (chain: A, length: 124)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 97.6%
- Total number of assignments
  - ¹H chemical shifts: 690
  - ¹³C chemical shifts: 479
  - ¹⁵N chemical shifts: 126
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- Tautomeric state of HIS
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
11	HIS	ND1	201.737

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	734	690	94.0
¹³C chemical shifts	561	479	85.4
¹⁵N chemical shifts	132	125	94.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	253	242	95.7
¹³C chemical shifts	248	213	85.9
¹⁵N chemical shifts	118	111	94.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	481	448	93.1
¹³C chemical shifts	313	266	85.0
¹⁵N chemical shifts	14	14	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	73	64	87.7
¹³C chemical shifts	73	60	82.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	63	57	90.5
¹³C chemical shifts	61	37	60.7
¹⁵N chemical shifts	2	2	100.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 96.0%
- Total number of restraints: 2316
- Weight of restraints: 1.0 (2316)
- Potential type of restraints: upper-bound-parabolic (2316)
- Range of distance target values: 2.48, 5.5 (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 DUF971, NP_253742.1, PC06155B, PSEUDOMONAS AERUGINOSA

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Found 1 Document (0.739 seconds)

BMRB: 17319

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. NP 253742.1, : 1 : 4 entities Detail

Experiments performed 9 experiments Detail

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NMR combined restraints 3 contents Detail