BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	86.5 % (916 of 1059)	84.5 % (463 of 548)	87.6 % (360 of 411)	93.0 % (93 of 100)
Backbone	90.5 % (507 of 560)	89.7 % (175 of 195)	90.1 % (246 of 273)	93.5 % (86 of 92)
Sidechain	83.2 % (486 of 584)	81.6 % (288 of 353)	85.7 % (191 of 223)	87.5 % (7 of 8)
Aromatic	75.0 % (48 of 64)	84.4 % (27 of 32)	63.3 % (19 of 30)	100.0 % (2 of 2)
Methyl	95.1 % (97 of 102)	94.1 % (48 of 51)	96.1 % (49 of 51)

1. FAIM-CTD

GPLGSENRSK TTSTWVLRLD GEDLRVVLEK DTMDVWCNGQ KMETAGEFVD DGTETHFSVG NHDCYIKAVS SGKRKEGIIH TLIVDNREIP ELTQ

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	FAIM-CTD	[U-99% 13C; U-99% 15N]	0.25 ~ 0.5 mM
2	sodium chloride	natural abundance	10 mM
3	TRIS	natural abundance	10 mM
4	DTT	natural abundance	5 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
5	FAIM-CTD	[U-99% 13C; U-99% 15N]	0.25 mM
6	sodium chloride	natural abundance	10 mM
7	TRIS	natural abundance	10 mM
8	DTT	natural abundance	5 mM
9	Pf1 filamentous phage	natural abundance	0.6% w/v

Sample #3

Solvent system 100% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
10	FAIM-CTD	[U-99% 13C]	1.8 mM
11	sodium chloride	natural abundance	10 mM
12	TRIS	natural abundance	10 mM
13	DTT	natural abundance	5 mM

Sample #4

Solvent system 100% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
14	FAIM-CTD	[U-10% 13C]	0.5 mM
15	sodium chloride	natural abundance	10 mM
16	TRIS	natural abundance	10 mM
17	DTT	natural abundance	5 mM

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
18	FAIM-CTD	[U-99% 15N]	0.25 ~ 0.9 mM
19	sodium chloride	natural abundance	10 mM
20	TRIS	natural abundance	10 mM
21	DTT	natural abundance	5 mM

Sample #6

Solvent system 100% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
22	FAIM-CTD	natural abundance	1.4 mM
23	sodium chloride	natural abundance	10 mM
24	TRIS	natural abundance	10 mM
25	DTT	natural abundance	5 mM

LACS Plot; CA

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

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.54 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KD2, Strand ID: A Detail

RDC

67 RDC values in 1 lists
Field strength (¹H) 499.9548 MHz, Pressure 1.0 atm, Temperature 298 K, pH 7.3 Detail

Release date

2009-04-21

Citation

Fas apoptosis inhibitory molecule contains a novel beta-sandwich in contact with a partially ordered domain
Hemond, M., Rothstein, T.L., Wagner, G.
J. Mol. Biol. (2009), 386, 1024-1037, PubMed 19168072 , DOI 10.1016/j.jmb.2009.01.004 , Abstract

Related entities 1. FAIM-CTD monomer, : 1 : 2 : 14 entities Detail

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	FAIM-CTD	[U-99% 13C; U-99% 15N]	0.25 ~ 0.5 mM
2	sodium chloride	natural abundance	10 mM
3	TRIS	natural abundance	10 mM
4	DTT	natural abundance	5 mM

2 3D HNCO

Instrument

Varian INOVA - 500 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
5	FAIM-CTD	[U-99% 13C; U-99% 15N]	0.25 mM
6	sodium chloride	natural abundance	10 mM
7	TRIS	natural abundance	10 mM
8	DTT	natural abundance	5 mM
9	Pf1 filamentous phage	natural abundance	0.6% w/v

3 3D HNCO

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
5	FAIM-CTD	[U-99% 13C; U-99% 15N]	0.25 mM
6	sodium chloride	natural abundance	10 mM
7	TRIS	natural abundance	10 mM
8	DTT	natural abundance	5 mM
9	Pf1 filamentous phage	natural abundance	0.6% w/v

4 3D HN(CA)CO

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	FAIM-CTD	[U-99% 13C; U-99% 15N]	0.25 ~ 0.5 mM
2	sodium chloride	natural abundance	10 mM
3	TRIS	natural abundance	10 mM
4	DTT	natural abundance	5 mM

5 3D HNCA

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	FAIM-CTD	[U-99% 13C; U-99% 15N]	0.25 ~ 0.5 mM
2	sodium chloride	natural abundance	10 mM
3	TRIS	natural abundance	10 mM
4	DTT	natural abundance	5 mM

6 3D HN(CO)CA

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	FAIM-CTD	[U-99% 13C; U-99% 15N]	0.25 ~ 0.5 mM
2	sodium chloride	natural abundance	10 mM
3	TRIS	natural abundance	10 mM
4	DTT	natural abundance	5 mM

7 3D HNCACB

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	FAIM-CTD	[U-99% 13C; U-99% 15N]	0.25 ~ 0.5 mM
2	sodium chloride	natural abundance	10 mM
3	TRIS	natural abundance	10 mM
4	DTT	natural abundance	5 mM

8 3D CBCA(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	FAIM-CTD	[U-99% 13C; U-99% 15N]	0.25 ~ 0.5 mM
2	sodium chloride	natural abundance	10 mM
3	TRIS	natural abundance	10 mM
4	DTT	natural abundance	5 mM

9 3D HNCO

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	FAIM-CTD	[U-99% 13C; U-99% 15N]	0.25 ~ 0.5 mM
2	sodium chloride	natural abundance	10 mM
3	TRIS	natural abundance	10 mM
4	DTT	natural abundance	5 mM

10 3D 1H-15N NOESY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
18	FAIM-CTD	[U-99% 15N]	0.25 ~ 0.9 mM
19	sodium chloride	natural abundance	10 mM
20	TRIS	natural abundance	10 mM
21	DTT	natural abundance	5 mM

11 3D 1H-15N TOCSY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
18	FAIM-CTD	[U-99% 15N]	0.25 ~ 0.9 mM
19	sodium chloride	natural abundance	10 mM
20	TRIS	natural abundance	10 mM
21	DTT	natural abundance	5 mM

12 3D C(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	FAIM-CTD	[U-99% 13C; U-99% 15N]	0.25 ~ 0.5 mM
2	sodium chloride	natural abundance	10 mM
3	TRIS	natural abundance	10 mM
4	DTT	natural abundance	5 mM

13 3D H(CCO)NH

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	FAIM-CTD	[U-99% 13C; U-99% 15N]	0.25 ~ 0.5 mM
2	sodium chloride	natural abundance	10 mM
3	TRIS	natural abundance	10 mM
4	DTT	natural abundance	5 mM

14 2D 1H-13C HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
10	FAIM-CTD	[U-99% 13C]	1.8 mM
11	sodium chloride	natural abundance	10 mM
12	TRIS	natural abundance	10 mM
13	DTT	natural abundance	5 mM

15 3D 1H-13C NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
10	FAIM-CTD	[U-99% 13C]	1.8 mM
11	sodium chloride	natural abundance	10 mM
12	TRIS	natural abundance	10 mM
13	DTT	natural abundance	5 mM

16 2D 1H-1H NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
22	FAIM-CTD	natural abundance	1.4 mM
23	sodium chloride	natural abundance	10 mM
24	TRIS	natural abundance	10 mM
25	DTT	natural abundance	5 mM

17 3D HCCH-TOCSY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	FAIM-CTD	[U-99% 13C; U-99% 15N]	0.25 ~ 0.5 mM
2	sodium chloride	natural abundance	10 mM
3	TRIS	natural abundance	10 mM
4	DTT	natural abundance	5 mM

18 2D CCH-COSY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
10	FAIM-CTD	[U-99% 13C]	1.8 mM
11	sodium chloride	natural abundance	10 mM
12	TRIS	natural abundance	10 mM
13	DTT	natural abundance	5 mM

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_16103_2kd2.nef
Input source #2: Coordindates	2kd2.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

---90-------100-------110-------120-------130-------140-------150-------160-------170---------
GPLGSENRSKTTSTWVLRLDGEDLRVVLEKDTMDVWCNGQKMETAGEFVDDGTETHFSVGNHDCYIKAVSSGKRKEGIIHTLIVDNREIPELTQ
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GPLGSENRSKTTSTWVLRLDGEDLRVVLEKDTMDVWCNGQKMETAGEFVDDGTETHFSVGNHDCYIKAVSSGKRKEGIIHTLIVDNREIPELTQ
--------10--------20--------30--------40--------50--------60--------70--------80--------90----

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	94	0	0	100.0

Content subtype: combined_16103_2kd2.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	919		91.5 (chain: A, length: 94)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	1268 (1)	noe	86.2 (chain: A, length: 94)
2	Distance restraints	DYANA/DIANA_distance_constraints_3	Warning	64 (1)	hbond	17.0 (chain: A, length: 94)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_4	OK	143 (143)	.	77.7 (chain: A, length: 94)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 94, Sequence coverage: 91.5%

---90-------100-------110-------120-------130-------140-------150-------160-------170---------
GPLGSENRSKTTSTWVLRLDGEDLRVVLEKDTMDVWCNGQKMETAGEFVDDGTETHFSVGNHDCYIKAVSSGKRKEGIIHTLIVDNREIPELTQ
        ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
........SKTTSTWVLRLDGEDLRVVLEKDTMDVWCNGQKMETAGEFVDDGTETHFSVGNHDCYIKAVSSGKRKEGIIHTLIVDNREIPELTQ

Total number of assignments
- ¹H chemical shifts: 459
- ¹³C chemical shifts: 364
- ¹⁵N chemical shifts: 96

Completeness of assignments

Entity_assemble_ID: A

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
100	TRP	CG	112.661
121	TRP	CE2	138.891
121	TRP	CG	112.059
133	PHE	CG	139.4
141	HIS	ND1	184.527
141	HIS	NE2	176.107
147	HIS	CG	131.125
147	HIS	ND1	183.318
147	HIS	NE2	177.685
150	TYR	CG	128.946
150	TYR	CZ	156.913

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	548	459	83.8
¹³C chemical shifts	411	357	86.9
¹⁵N chemical shifts	105	92	87.6

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	195	173	88.7
¹³C chemical shifts	188	167	88.8
¹⁵N chemical shifts	92	85	92.4

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	353	286	81.0
¹³C chemical shifts	223	190	85.2
¹⁵N chemical shifts	13	7	53.8

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	53	50	94.3
¹³C chemical shifts	53	51	96.2

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	32	27	84.4
¹³C chemical shifts	30	19	63.3
¹⁵N chemical shifts	2	2	100.0

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

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 94, Sequence coverage: 86.2%
- Total number of restraints: 1268
- Weight of restraints: 1.0 (1268)
- Potential type of restraints: upper-bound-parabolic (1268)
- Range of distance target values: 2.35, 8.98 (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
- Saveframe: DYANA/DIANA_distance_constraints_3
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 94, Sequence coverage: 17.0%
  - Total number of restraints: 64
  - Weight of restraints: 1.0 (64)
  - Potential type of restraints: upper-bound-parabolic (64)
  - Range of distance target values: 1.8, 3.0 (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

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 94, Sequence coverage: 77.7%
- Total number of restraints: 143
- Total number of restraints per polymer type: 143
- Weight of restraints: 1.0 (143)
- Potential type of restraints: square-well-parabolic (143)
- Plot of Phi-Psi angle restraints
- Plot of Chi1-Chi2 angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords apoptosis, Fas, BETA SANDWICH, PROTEIN

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Found 1 Document (0.702 seconds)

BMRB: 16103

Sample #1

Sample #2

Sample #3

Sample #4

Sample #5

Sample #6

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. FAIM-CTD monomer, : 1 : 2 : 14 entities Detail

Experiments performed 18 experiments Detail

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NMR combined restraints 5 contents Detail