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Found 1 Document (0.736 seconds)

BMRB: 17571

2LBN

(Revised) SOLUTION STRUCTURE OF THE MONOMERIC FORM OF A MUTANT UNLIGANDED BOVINE NEUROPHYSIN, 20 STRUCTURES.

Authors

Lee, H., Nguyen, T., Bracken, C., Breslow, E.

Assembly

MUTANT UNLIGANDED BOVINE NEUROPHYSIN

Entity

1. MUTANT UNLIGANDED BOVINE NEUROPHYSIN (polymer), 92 monomers, 9280.390 Da Detail

AVLDLDVRTC LPCGPGGKGR CFGPSICCGD ELGCFVGTAE ALRCQEENYL PSPCQSGQKP CGSGGRCAAA GICCSPDGCE EDPACDPEAA FS

Formula weight

9280.39 Da

Source organism

Bos taurus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.7 %, Completeness: 67.3 %, Completeness (bb): 72.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	67.3 % (619 of 920)	76.6 % (366 of 478)	50.4 % (179 of 355)	85.1 % (74 of 87)
Backbone	72.5 % (387 of 534)	89.9 % (170 of 189)	55.0 % (144 of 262)	88.0 % (73 of 83)
Sidechain	62.5 % (290 of 464)	67.5 % (195 of 289)	55.6 % (95 of 171)	0.0 % (0 of 4)
Aromatic	15.8 % (6 of 38)	31.6 % (6 of 19)	0.0 % (0 of 19)
Methyl	66.7 % (44 of 66)	72.7 % (24 of 33)	60.6 % (20 of 33)

1. Mutant Unliganded Bovine Neurophysin

AVLDLDVRTC LPCGPGGKGR CFGPSICCGD ELGCFVGTAE ALRCQEENYL PSPCQSGQKP CGSGGRCAAA GICCSPDGCE EDPACDPEAA FS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 15N]	1.4 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
4	entity	[U-100% 13C; U-100% 15N]	1.4 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbon	external	direct	1.0
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	nitrogen	external	direct	1.0

Referencing offset: -0.54 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbon	external	direct	1.0
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	nitrogen	external	direct	1.0

Referencing offset: -0.54 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbon	external	direct	1.0
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	nitrogen	external	direct	1.0

Referencing offset: 0.12 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 21 models in PDB: 2LBN, Strand ID: A Detail

Release date

2012-04-02

Citation

Structural Basis of the Dimerization-Induced Increase in Neurophysin-Hormone Affinity: Interplay of Inter-Domain and Inter-Subunit Interactions
Lee, H., Naik, M., Bracken, C., Breslow, E.
Not known

Related entities 1. MUTANT UNLIGANDED BOVINE NEUROPHYSIN, : 1 : 2 : 5 : 53 entities Detail

Interaction partners 1. MUTANT UNLIGANDED BOVINE NEUROPHYSIN, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 7 experiments Detail

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_17571_2lbn.nef
Input source #2: Coordindates	2lbn.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	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
A:10:CYS:SG	A:54:CYS:SG	unknown	unknown	2.026
A:13:CYS:SG	A:27:CYS:SG	oxidized, CA 54.703, CB 46.739 ppm	oxidized, CA 54.318, CB 45.525 ppm	2.027
A:21:CYS:SG	A:44:CYS:SG	oxidized, CA 55.703, CB 38.455 ppm	oxidized, CA 53.542, CB 34.983 ppm	2.033
A:28:CYS:SG	A:34:CYS:SG	oxidized, CA 55.597, CB 50.803 ppm	oxidized, CA 55.595, CB 46.947 ppm	2.03
A:61:CYS:SG	A:73:CYS:SG	oxidized, CA 54.16, CB 45.771 ppm	oxidized, CA 54.953, CB 45.463 ppm	2.031
A:67:CYS:SG	A:85:CYS:SG	oxidized, CA 54.331, CB 34.888 ppm	oxidized, CA 52.078, CB 35.985 ppm	2.034
A:74:CYS:SG	A:79:CYS:SG	oxidized, CA 56.355, CB 46.616 ppm	oxidized, CA 55.745, CB 47.298 ppm	2.028

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--
AVLDLDVRTCLPCGPGGKGRCFGPSICCGDELGCFVGTAEALRCQEENYLPSPCQSGQKPCGSGGRCAAAGICCSPDGCEEDPACDPEAAFS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
AVLDLDVRTCLPCGPGGKGRCFGPSICCGDELGCFVGTAEALRCQEENYLPSPCQSGQKPCGSGGRCAAAGICCSPDGCEEDPACDPEAAFS

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	92	0	0	100.0

Content subtype: combined_17571_2lbn.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	7		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	623		95.7 (chain: A, length: 92)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	831 (1)	noe	97.8 (chain: A, length: 92)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	50 (1)	hbond	39.1 (chain: A, length: 92)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	72 (72)	.	81.5 (chain: A, length: 92)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_5	OK	62 (62)	.	62.0 (chain: A, length: 92)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 92, Sequence coverage: 95.7%
- Total number of assignments
  - ¹H chemical shifts: 380
  - ¹³C chemical shifts: 169
  - ¹⁵N chemical shifts: 74
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	478	364	76.2
¹³C chemical shifts	355	169	47.6
¹⁵N chemical shifts	91	74	81.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	189	171	90.5
¹³C chemical shifts	184	77	41.8
¹⁵N chemical shifts	83	74	89.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	289	193	66.8
¹³C chemical shifts	171	92	53.8
¹⁵N chemical shifts	8	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	33	24	72.7
¹³C chemical shifts	33	20	60.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	19	6	31.6
¹³C chemical shifts	19	0	0.0

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: 92, Sequence coverage: 97.8%
- Total number of restraints: 831
- Weight of restraints: 1.0 (831)
- Potential type of restraints: square-well-parabolic (831)
- Range of distance target values: 2.25, 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
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 92, Sequence coverage: 39.1%
  - Total number of restraints: 50
  - Weight of restraints: 1.0 (50)
  - Potential type of restraints: square-well-parabolic (50)
  - Range of distance target values: 1.9, 2.9 (Å)
  - Histogram of 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: 92, Sequence coverage: 81.5%
- Total number of restraints: 72
- Total number of restraints per polymer type: 72
- Weight of restraints: 1.0 (72)
- Potential type of restraints: square-well-parabolic (72)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_5
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 92, Sequence coverage: 62.0%
- Total number of restraints: 62
- Potential type of restraints: undefined (62)
- Range of observed RDC values: 100.0, -100.0 (Hz)
- RDC restraints per residue
  - Chain_ID: A
    None

Keywords neurophysin

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Found 1 Document (0.736 seconds)

BMRB: 17571

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. MUTANT UNLIGANDED BOVINE NEUROPHYSIN, : 1 : 2 : 5 : 53 entities Detail

Interaction partners 1. MUTANT UNLIGANDED BOVINE NEUROPHYSIN, : 1 interactors Detail

Experiments performed 7 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

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Sample

NMR combined restraints 6 contents Detail