BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	92.6 % (125 of 135)	91.4 % (64 of 70)	96.0 % (48 of 50)	86.7 % (13 of 15)
Backbone	91.7 % (66 of 72)	92.0 % (23 of 25)	94.3 % (33 of 35)	83.3 % (10 of 12)
Sidechain	94.6 % (70 of 74)	91.1 % (41 of 45)	100.0 % (26 of 26)	100.0 % (3 of 3)
Aromatic	80.0 % (8 of 10)	60.0 % (3 of 5)	100.0 % (5 of 5)
Methyl	100.0 % (14 of 14)	100.0 % (7 of 7)	100.0 % (7 of 7)

1. entity

GEXXLAXNQX FARXLANX

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	2.0 mM
2	HEPES	[U-100% 2H]	10 mM
3	DSS	natural abundance	0.1 %
4	magnesium chloride	natural abundance	40 mM
5	sodium chloride	natural abundance	10 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

Protein Blocks Logo

Calculated from 19 models in PDB: 2MYZ, Strand ID: A Detail

Release date

2015-06-14

Citation

Hydroxyproline-induced Helical Disruption in Conantokin Rl-B Affects Subunit-selective Antagonistic Activities toward Ion Channels of N-Methyl-d-aspartate Receptors
Kunda, S., Yuan, Y., Balsara, R.D., Zajicek, J., Castellino, F.J.
J. Biol. Chem. (2015), 290, 18156-18172, PubMed 26048991 , DOI 10.1074/jbc.M115.650341 , Abstract

Experiments performed 5 experiments Detail

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_25465_2myz.nef
Input source #2: Coordindates	2myz.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	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:17:ASN:C	1:18:NH2:N	unknown	unknown	n/a
1:2:GLU:C	1:3:CGU:N	unknown	unknown	n/a
1:3:CGU:C	1:4:CGU:N	unknown	unknown	n/a
1:4:CGU:C	1:5:LEU:N	unknown	unknown	n/a
1:6:ALA:C	1:7:CGU:N	unknown	unknown	n/a
1:7:CGU:C	1:8:ASN:N	unknown	unknown	n/a
1:9:GLN:C	1:10:CGU:N	unknown	unknown	n/a
1:10:CGU:C	1:11:PHE:N	unknown	unknown	n/a
1:13:ARG:C	1:14:CGU:N	unknown	unknown	n/a
1:14:CGU:C	1:15:LEU:N	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
A	3	CGU	GAMMA-CARBOXY-GLUTAMIC ACID	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates
A	4	CGU	GAMMA-CARBOXY-GLUTAMIC ACID	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates
A	7	CGU	GAMMA-CARBOXY-GLUTAMIC ACID	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates
A	10	CGU	GAMMA-CARBOXY-GLUTAMIC ACID	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates
A	14	CGU	GAMMA-CARBOXY-GLUTAMIC ACID	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates
A	18	NH2	AMINO GROUP	Assigned chemical shifts, Coordinates

Sequence alignments

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

--------10--------
GEXXLAXNQXFARXLANX
||||||||||||||||||
GEXXLAXNQXFARXLANX

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	18	0	0	100.0

Content subtype: combined_25465_2myz.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	10		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	177		100.0 (chain: A, length: 18)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	178 (1)	noe	88.9 (chain: A, length: 18)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	30 (30)	.	94.4 (chain: A, length: 18)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 18, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 91
  - ¹³C chemical shifts: 67
  - ¹⁵N chemical shifts: 19
- Completeness of assignments
  - Entity_assemble_ID: A
- 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
3	CGU
4	CGU
7	CGU
10	CGU
14	CGU

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	72	66	91.7
¹³C chemical shifts	50	48	96.0
¹⁵N chemical shifts	17	14	82.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	25	23	92.0
¹³C chemical shifts	24	22	91.7
¹⁵N chemical shifts	13	11	84.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	47	43	91.5
¹³C chemical shifts	26	26	100.0
¹⁵N chemical shifts	4	3	75.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	7	7	100.0
¹³C chemical shifts	7	7	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	5	3	60.0
¹³C chemical shifts	5	5	100.0

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: 18, Sequence coverage: 88.9%
- Total number of restraints: 178
- Weight of restraints: 1.0 (178)
- Potential type of restraints: square-well-parabolic (178)
- Range of distance target values: 2.4, 4.4 (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: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 18, Sequence coverage: 94.4%
- Total number of restraints: 30
- Total number of restraints per polymer type: 30
- Weight of restraints: 1.0 (30)
- Potential type of restraints: square-well-parabolic (30)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords conantokin

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.39 seconds)

BMRB: 25465

Sample

Experiments performed 5 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 4 contents Detail