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BMRB: 15562

2JXN

Solution Structure of S. cerevisiae PDCD5-like Protein Ymr074cp

Authors

Hong, J., Zhang, J., Liu, Z., Shi, Y., Wu, J.

Assembly

Ymr074cp (1-116) monomer

Entity

1. N116 (polymer, Thiol state: not available), 127 monomers, 13773.17 Da Detail

MDPELQAIRE ARLAQLKNNS GGTNGDRNSG ANNGGGENSA PVGAAIANFL EPQALERLSR VALVRRDRAQ AVETYLKKLI ATNNVTHKIT EAEIVSILNG IAKQQNSQNN SKIIFEAAAL EHHHHHH

2. S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate (non-polymer), 264.385 × 2 Da

Total weight

14301.939 Da

Max. entity weight

13773.17 Da

Source organism

Saccharomyces cerevisiae

Exptl. method

solution NMR

Refine. method

distance geometry, molecular dynamics, torsion angle dynamics

Data set

assigned_chemical_shifts, coupling_constants, RDCs, order_parameters, heteronucl_T1_relaxation, heteronucl_T2_relaxation, heteronucl_NOEs

Chem. Shift Complete

Sequence coverage: 92.1 %, Completeness: 82.2 %, Completeness (bb): 89.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.2 % (1167 of 1420)	77.9 % (576 of 739)	88.1 % (472 of 536)	82.1 % (119 of 145)
Backbone	89.8 % (679 of 756)	88.5 % (230 of 260)	90.9 % (338 of 372)	89.5 % (111 of 124)
Sidechain	76.1 % (595 of 782)	72.2 % (346 of 479)	85.5 % (241 of 282)	38.1 % (8 of 21)
Aromatic	14.3 % (8 of 56)	28.6 % (8 of 28)	0.0 % (0 of 28)
Methyl	96.0 % (144 of 150)	96.0 % (72 of 75)	96.0 % (72 of 75)

1. N116

MDPELQAIRE ARLAQLKNNS GGTNGDRNSG ANNGGGENSA PVGAAIANFL EPQALERLSR VALVRRDRAQ AVETYLKKLI ATNNVTHKIT EAEIVSILNG IAKQQNSQNN SKIIFEAAAL EHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116 A7C attached MTSL

#	Name	Isotope labeling	Concentration
1	N116 A7C	[U-100% 15N]	0.2 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	EDTA	natural abundance	1 mM
5	D2O	[U-100% 2H]	10 %
6	H2O	natural abundance	90 %
7	1-oxyl-2, 2, 5, 5-tetramethyl-3-pyrroline-3-methylmethanethiosulfonate	natural abundance	0.2 mM
8	ascorbate	natural abundance	1 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
9	N116	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	EDTA	natural abundance	1 mM
13	D2O	[U-100% 2H]	10 %
14	H2O	natural abundance	90 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116 A7C attached MTSL

#	Name	Isotope labeling	Concentration
15	N116 A7C	[U-100% 15N]	0.2 mM
16	sodium phosphate	natural abundance	20 mM
17	sodium chloride	natural abundance	50 mM
18	EDTA	natural abundance	1 mM
19	D2O	[U-100% 2H]	10 %
20	H2O	natural abundance	90 %
21	1-oxyl-2, 2, 5, 5-tetramethyl-3-pyrroline-3-methylmethanethiosulfonate	natural abundance	0.2 mM

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
22	N116	[U-100% 13C; U-100% 15N]	1 mM
23	sodium phosphate	natural abundance	20 mM
24	sodium chloride	natural abundance	50 mM
25	EDTA	natural abundance	1 mM
26	D2O	[U-100% 2H]	100 %

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
27	N116	[U-100% 15N]	1 mM
28	sodium phosphate	natural abundance	20 mM
29	sodium chloride	natural abundance	50 mM
30	EDTA	natural abundance	1 mM
31	D2O	[U-100% 2H]	10 %
32	H2O	natural abundance	90 %

Sample #6

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details To provide weak alignment of molecule

#	Name	Isotope labeling	Concentration
33	N116	[U-100% 15N]	1 mM
34	sodium phosphate	natural abundance	20 mM
35	sodium chloride	natural abundance	50 mM
36	EDTA	natural abundance	1 mM
37	D2O	[U-100% 2H]	10 %
38	H2O	natural abundance	90 %
39	polyacrylamide gel	natural abundance	7 or 8 %

Sample #7

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116 A11C attached MTSL

#	Name	Isotope labeling	Concentration
40	N116 A11C	[U-100% 15N]	0.2 mM
41	sodium phosphate	natural abundance	20 mM
42	sodium chloride	natural abundance	50 mM
43	EDTA	natural abundance	1 mM
44	D2O	[U-100% 2H]	10 %
45	H2O	natural abundance	90 %
46	1-oxyl-2, 2, 5, 5-tetramethyl-3-pyrroline-3-methylmethanethiosulfonate	natural abundance	0.2 mM

Sample #8

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116 A11C attached MTSL

#	Name	Isotope labeling	Concentration
47	N116 A11C	[U-100% 15N]	0.2 mM
48	sodium phosphate	natural abundance	20 mM
49	sodium chloride	natural abundance	50 mM
50	EDTA	natural abundance	1 mM
51	D2O	[U-100% 2H]	10 %
52	H2O	natural abundance	90 %
53	1-oxyl-2, 2, 5, 5-tetramethyl-3-pyrroline-3-methylmethanethiosulfonate	natural abundance	0.2 mM
54	ascorbate	natural abundance	1 mM

LACS Plot; CA

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

Referencing offset: -0.16 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: -0.16 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: 0.13 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Heteronucl. T₁

175 T₁ values in 2 lists
Coherence Sz, Field strength (¹H) 500.13 MHz, 600.13 MHz, Pressure 1 atm, Temperature 298 K, pH 6.0 Detail

Heteronucl. T₂

173 T₂ values in 2 lists
Coherence S(+,-), Field strength (¹H) 500.13 MHz, 600.13 MHz, Pressure 1 atm, Temperature 298 K, pH 6.0 Detail

Heteronucl. NOE

179 NOE values in 2 lists
Value type peak height, Field strength (¹H) 500.13 MHz, 600.13 MHz, Pressure 1 atm, Temperature 298 K, pH 6.0 Detail

Heteronucl. T₁/T₂

173 T₁/T₂ values in 2 lists
Field strength (¹H) 500.13 MHz, 600.13 MHz, Pressure 1 atm, Temperature 298 K, pH 6.0 Detail

Order parameters

43 S² values in 1 lists
Pressure 1 atm, Temperature 298 K, pH 6.0 Detail

Coupling constant

58 J values in 1 lists
Pressure 1 atm, Temperature 298 K, pH 6.0 Detail

RDC

161 RDC values in 2 lists
Field strength (¹H) 500.13 MHz, Pressure 1 atm, Temperature 298 K, pH 6.0 Detail

Release date

2009-06-16

Citation

Solution structure of S. cerevisiae PDCD5-like protein and its promoting role in H(2)O(2)-induced apoptosis in yeast
Hong, J., Zhang, J., Liu, Z., Qin, S., Wu, J., Shi, Y.
Biochemistry (2009), 48, 6824-6834, PubMed 19469552 , DOI 10.1021/bi900488n , Abstract

Related entities 1. N116, : 1 : 2 : 25 entities Detail

Interaction partners 1. N116, : 9 interactors Detail

More details for 9 interactors identified by 3 citations

Experiments performed 22 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 6.0, Details N116 A7C attached MTSL

#	Name	Isotope labeling	Concentration
15	N116 A7C	[U-100% 15N]	0.2 mM
16	sodium phosphate	natural abundance	20 mM
17	sodium chloride	natural abundance	50 mM
18	EDTA	natural abundance	1 mM
19	D2O	[U-100% 2H]	10 %
20	H2O	natural abundance	90 %
21	1-oxyl-2, 2, 5, 5-tetramethyl-3-pyrroline-3-methylmethanethiosulfonate	natural abundance	0.2 mM

2 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 6.0, Details N116 A7C attached MTSL

#	Name	Isotope labeling	Concentration
1	N116 A7C	[U-100% 15N]	0.2 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	EDTA	natural abundance	1 mM
5	D2O	[U-100% 2H]	10 %
6	H2O	natural abundance	90 %
7	1-oxyl-2, 2, 5, 5-tetramethyl-3-pyrroline-3-methylmethanethiosulfonate	natural abundance	0.2 mM
8	ascorbate	natural abundance	1 mM

3 2D 1H-15N IPAP HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
27	N116	[U-100% 15N]	1 mM
28	sodium phosphate	natural abundance	20 mM
29	sodium chloride	natural abundance	50 mM
30	EDTA	natural abundance	1 mM
31	D2O	[U-100% 2H]	10 %
32	H2O	natural abundance	90 %

4 2D 1H-15N IPAP HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details To provide weak alignment of molecule

#	Name	Isotope labeling	Concentration
33	N116	[U-100% 15N]	1 mM
34	sodium phosphate	natural abundance	20 mM
35	sodium chloride	natural abundance	50 mM
36	EDTA	natural abundance	1 mM
37	D2O	[U-100% 2H]	10 %
38	H2O	natural abundance	90 %
39	polyacrylamide gel	natural abundance	7 or 8 %

5 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 6.0, Details N116

#	Name	Isotope labeling	Concentration
9	N116	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	EDTA	natural abundance	1 mM
13	D2O	[U-100% 2H]	10 %
14	H2O	natural abundance	90 %

6 3D CBCANH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
9	N116	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	EDTA	natural abundance	1 mM
13	D2O	[U-100% 2H]	10 %
14	H2O	natural abundance	90 %

7 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
9	N116	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	EDTA	natural abundance	1 mM
13	D2O	[U-100% 2H]	10 %
14	H2O	natural abundance	90 %

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 6.0, Details N116

#	Name	Isotope labeling	Concentration
9	N116	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	EDTA	natural abundance	1 mM
13	D2O	[U-100% 2H]	10 %
14	H2O	natural abundance	90 %

9 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
9	N116	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	EDTA	natural abundance	1 mM
13	D2O	[U-100% 2H]	10 %
14	H2O	natural abundance	90 %

10 3D HN(CA)CO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
9	N116	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	EDTA	natural abundance	1 mM
13	D2O	[U-100% 2H]	10 %
14	H2O	natural abundance	90 %

11 3D C(CO)NH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
9	N116	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	EDTA	natural abundance	1 mM
13	D2O	[U-100% 2H]	10 %
14	H2O	natural abundance	90 %

12 3D HBHA(CBCACO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
9	N116	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	EDTA	natural abundance	1 mM
13	D2O	[U-100% 2H]	10 %
14	H2O	natural abundance	90 %

13 3D H(CCO)NH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
9	N116	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	EDTA	natural abundance	1 mM
13	D2O	[U-100% 2H]	10 %
14	H2O	natural abundance	90 %

14 3D 15N-edited-NOESY-HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
9	N116	[U-100% 13C; U-100% 15N]	1 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	50 mM
12	EDTA	natural abundance	1 mM
13	D2O	[U-100% 2H]	10 %
14	H2O	natural abundance	90 %

15 3D HCCH-COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
22	N116	[U-100% 13C; U-100% 15N]	1 mM
23	sodium phosphate	natural abundance	20 mM
24	sodium chloride	natural abundance	50 mM
25	EDTA	natural abundance	1 mM
26	D2O	[U-100% 2H]	100 %

16 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
22	N116	[U-100% 13C; U-100% 15N]	1 mM
23	sodium phosphate	natural abundance	20 mM
24	sodium chloride	natural abundance	50 mM
25	EDTA	natural abundance	1 mM
26	D2O	[U-100% 2H]	100 %

17 3D 13C-edited-NOESY-HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
22	N116	[U-100% 13C; U-100% 15N]	1 mM
23	sodium phosphate	natural abundance	20 mM
24	sodium chloride	natural abundance	50 mM
25	EDTA	natural abundance	1 mM
26	D2O	[U-100% 2H]	100 %

18 H-D exchange

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 295 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
22	N116	[U-100% 13C; U-100% 15N]	1 mM
23	sodium phosphate	natural abundance	20 mM
24	sodium chloride	natural abundance	50 mM
25	EDTA	natural abundance	1 mM
26	D2O	[U-100% 2H]	100 %

19 NMR relaxation

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
27	N116	[U-100% 15N]	1 mM
28	sodium phosphate	natural abundance	20 mM
29	sodium chloride	natural abundance	50 mM
30	EDTA	natural abundance	1 mM
31	D2O	[U-100% 2H]	10 %
32	H2O	natural abundance	90 %

20 NMR relaxation

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details N116

#	Name	Isotope labeling	Concentration
27	N116	[U-100% 15N]	1 mM
28	sodium phosphate	natural abundance	20 mM
29	sodium chloride	natural abundance	50 mM
30	EDTA	natural abundance	1 mM
31	D2O	[U-100% 2H]	10 %
32	H2O	natural abundance	90 %

21 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 6.0, Details N116 A11C attached MTSL

#	Name	Isotope labeling	Concentration
40	N116 A11C	[U-100% 15N]	0.2 mM
41	sodium phosphate	natural abundance	20 mM
42	sodium chloride	natural abundance	50 mM
43	EDTA	natural abundance	1 mM
44	D2O	[U-100% 2H]	10 %
45	H2O	natural abundance	90 %
46	1-oxyl-2, 2, 5, 5-tetramethyl-3-pyrroline-3-methylmethanethiosulfonate	natural abundance	0.2 mM

22 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 6.0, Details N116 A11C attached MTSL

#	Name	Isotope labeling	Concentration
47	N116 A11C	[U-100% 15N]	0.2 mM
48	sodium phosphate	natural abundance	20 mM
49	sodium chloride	natural abundance	50 mM
50	EDTA	natural abundance	1 mM
51	D2O	[U-100% 2H]	10 %
52	H2O	natural abundance	90 %
53	1-oxyl-2, 2, 5, 5-tetramethyl-3-pyrroline-3-methylmethanethiosulfonate	natural abundance	0.2 mM
54	ascorbate	natural abundance	1 mM

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_15562_2jxn.nef
Input source #2: Coordindates	2jxn.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Error

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:7:CYS:SG	2:1:MTN:S1	unknown	unknown	n/a
1:11:CYS:SG	2:2:MTN:S1	unknown	unknown	n/a

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

None

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
B	1	MTN	S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate	None
B	2	MTN	S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate	None

Sequence alignments

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

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

-------110-------120-------
IAKQQNSQNNSKIIFEAAALEHHHHHH
|||||||||||||||||||||||||||
IAKQQNSQNNSKIIFEAAALEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	127	0	0	100.0

Content subtype: combined_15562_2jxn.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	2		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Error	1147		89.8 (chain: A, length: 127)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	2013 (1)	noe	90.6 (chain: A, length: 127)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	58 (1)	hbond	32.3 (chain: A, length: 127)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_5	OK	107 (107)	.	52.8 (chain: A, length: 127)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_7	Warning	28 (28)	.	22.0 (chain: A, length: 127)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Error
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 127, Sequence coverage: 89.8%
- Total number of assignments
  - ¹H chemical shifts: 563
  - ¹³C chemical shifts: 466
  - ¹⁵N chemical shifts: 118
- Completeness of assignments
- 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

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 127, Sequence coverage: 90.6%
- Total number of restraints: 2012
- Weight of restraints: 1.0 (2012)
- Potential type of restraints: square-well-parabolic (2012)
- Range of distance target values: 2.35, 4.4 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
    None
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 127, Sequence coverage: 32.3%
  - Total number of restraints: 58
  - Weight of restraints: 1.0 (58)
  - Potential type of restraints: square-well-parabolic (58)
  - Range of distance target values: 2.0, 2.95 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
      None
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_5
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 127, Sequence coverage: 52.8%
- Total number of restraints: 107
- Total number of restraints per polymer type: 107
- Weight of restraints: 1.0 (107)
- Potential type of restraints: square-well-parabolic (107)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_7
- Status: Warning
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 127, Sequence coverage: 22.0%
- Total number of restraints: 28
- Potential type of restraints: undefined (28)
- Range of observed RDC values: 100.0, -100.0 (Hz)
- RDC restraints per residue

Keywords Ymr074cp, PDCD5-like protein, NMR

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Found 1 Document (1.054 seconds)

BMRB: 15562

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. N116, : 1 : 2 : 25 entities Detail

Interaction partners 1. N116, : 9 interactors Detail

Experiments performed 22 experiments Detail

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