BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	96.6 % (1438 of 1488)	96.3 % (758 of 787)	97.2 % (558 of 574)	96.1 % (122 of 127)
Backbone	98.6 % (700 of 710)	98.3 % (236 of 240)	98.6 % (348 of 353)	99.1 % (116 of 117)
Sidechain	95.4 % (852 of 893)	95.4 % (522 of 547)	96.4 % (324 of 336)	60.0 % (6 of 10)
Aromatic	88.7 % (94 of 106)	92.5 % (49 of 53)	84.3 % (43 of 51)	100.0 % (2 of 2)
Methyl	98.3 % (118 of 120)	96.7 % (58 of 60)	100.0 % (60 of 60)

1. entity 1

SAKDIKDEKI QQYRKTLTKI VKIKTAIFHE TVKVTCSKDG KMLEWYKGKN DSDGKKKPIG SFPLNKITSI RTKVDNLKSL EISVSSVHIS TYLFTFKTRE ERESWQNNLE SFRKIMSMK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 830 uM [U-100% 15N]; [U-100% 13C] C-terminal PH domain from PfAPH, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	C-terminal PH domain from PfAPH	[U-100% 15N; U-100% 13C]		830 uM
2	NaCl	natural abundance		300 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.78 ppm	internal	indirect	0.2514495
¹H	water	protons	4.78 ppm	internal	direct	1.0
¹⁵N	water	protons	4.78 ppm	internal	indirect	0.1013291

Referencing offset: -0.07 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.78 ppm	internal	indirect	0.2514495
¹H	water	protons	4.78 ppm	internal	direct	1.0
¹⁵N	water	protons	4.78 ppm	internal	indirect	0.1013291

Referencing offset: -0.07 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.78 ppm	internal	indirect	0.2514495
¹H	water	protons	4.78 ppm	internal	direct	1.0
¹⁵N	water	protons	4.78 ppm	internal	indirect	0.1013291

Referencing offset: -0.15 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.78 ppm	internal	indirect	0.2514495
¹H	water	protons	4.78 ppm	internal	direct	1.0
¹⁵N	water	protons	4.78 ppm	internal	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 6F24, Strand ID: A Detail

Release date

2017-12-14

Citation

C-terminal PH domain from P. falciparum acylated plekstrin homology domain containing protein (APH)
Darvill, N., Matthews, S., Liu, B., Soldati-Favre, D., Rouse, S., Benjamin, S., Blake, T., Dubois, D.J., Hammoudi, P.M., Pino, P.

Related entities 1. Uncharacterized protein, : 1 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 830 uM [U-100% 15N]; [U-100% 13C] C-terminal PH domain from PfAPH, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	C-terminal PH domain from PfAPH	[U-100% 15N; U-100% 13C]		830 uM
2	NaCl	natural abundance		300 mM

2 3D CBCA(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	C-terminal PH domain from PfAPH	[U-100% 15N; U-100% 13C]		830 uM
2	NaCl	natural abundance		300 mM

3 3D HNCACB

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	C-terminal PH domain from PfAPH	[U-100% 15N; U-100% 13C]		830 uM
2	NaCl	natural abundance		300 mM

4 3D HNCO

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	C-terminal PH domain from PfAPH	[U-100% 15N; U-100% 13C]		830 uM
2	NaCl	natural abundance		300 mM

5 3D HN(CO)CA

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	C-terminal PH domain from PfAPH	[U-100% 15N; U-100% 13C]		830 uM
2	NaCl	natural abundance		300 mM

6 3D HBHA(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	C-terminal PH domain from PfAPH	[U-100% 15N; U-100% 13C]		830 uM
2	NaCl	natural abundance		300 mM

7 3D C(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	C-terminal PH domain from PfAPH	[U-100% 15N; U-100% 13C]		830 uM
2	NaCl	natural abundance		300 mM

8 3D 1H-15N NOESY

Instrument

Bruker DRX - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	C-terminal PH domain from PfAPH	[U-100% 15N; U-100% 13C]		830 uM
2	NaCl	natural abundance		300 mM

9 3D H(CCO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	C-terminal PH domain from PfAPH	[U-100% 15N; U-100% 13C]		830 uM
2	NaCl	natural abundance		300 mM

10 3D 1H-13C NOESY

Instrument

Bruker DRX - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	C-terminal PH domain from PfAPH	[U-100% 15N; U-100% 13C]		830 uM
2	NaCl	natural abundance		300 mM

NMR combined restraints 2 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts	combined_34202_6f24.nef
Input source #2: Coordindates	6f24.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	Error

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

-------20--------30--------40--------50--------60--------70--------80--------90-------100-------110-
SAKDIKDEKIQQYRKTLTKIVKIKTAIFHETVKVTCSKDGKMLEWYKGKNDSDGKKKPIGSFPLNKITSIRTKVDNLKSLEISVSSVHISTYLFTFKTRE
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SAKDIKDEKIQQYRKTLTKIVKIKTAIFHETVKVTCSKDGKMLEWYKGKNDSDGKKKPIGSFPLNKITSIRTKVDNLKSLEISVSSVHISTYLFTFKTRE
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

------120-------130
ERESWQNNLESFRKIMSMK
|||||||||||||||||||
ERESWQNNLESFRKIMSMK
-------110---------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	119	0	0	100.0

Content subtype: combined_34202_6f24.nef

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1442		99.2 (chain: A, length: 119)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 99.2%
- Total number of assignments
  - ¹H chemical shifts: 763
  - ¹³C chemical shifts: 557
  - ¹⁵N chemical shifts: 122
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- 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)
110	ARG	HH21	7.147
110	ARG	HH22	7.147
124	ARG	HH11	7.688
124	ARG	HH12	7.688
124	ARG	HH21	7.565
124	ARG	HH22	7.565
124	ARG	NH1	91.684
124	ARG	NH2	95.877

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	787	756	96.1
¹³C chemical shifts	574	557	97.0
¹⁵N chemical shifts	132	120	90.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	240	235	97.9
¹³C chemical shifts	238	234	98.3
¹⁵N chemical shifts	117	114	97.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	547	521	95.2
¹³C chemical shifts	336	323	96.1
¹⁵N chemical shifts	15	6	40.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	63	61	96.8
¹³C chemical shifts	63	60	95.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	53	49	92.5
¹³C chemical shifts	51	43	84.3
¹⁵N chemical shifts	2	2	100.0

Keywords LIPID BINDING PROTEIN, PH domain, membrane association, phosphatidic acid binding

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Found 1 Document (0.571 seconds)

BMRB: 34202

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Uncharacterized protein, : 1 entities Detail

Experiments performed 10 experiments Detail

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NMR combined restraints 2 contents Detail