BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	92.6 % (1108 of 1196)	93.4 % (570 of 610)	90.9 % (428 of 471)	95.7 % (110 of 115)
Backbone	94.7 % (595 of 628)	94.3 % (200 of 212)	94.9 % (300 of 316)	95.0 % (95 of 100)
Sidechain	91.0 % (610 of 670)	93.0 % (370 of 398)	87.5 % (225 of 257)	100.0 % (15 of 15)
Aromatic	80.3 % (106 of 132)	89.4 % (59 of 66)	70.3 % (45 of 64)	100.0 % (2 of 2)
Methyl	98.2 % (108 of 110)	100.0 % (55 of 55)	96.4 % (53 of 55)

1. HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR

DDDDDVSFCA SVQLHTAVEM HHWCIPFSVD GQPAPSLRWL FNGSVLNETS FIFTEFLEPA ANETVRHGCL RLNQPTHVNN GNYTLLAANP CGQASASIMA AFMDNPF

Show sample condition

Sample

Solvent system 90% H2O, 10% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 6.900, Details 0.5-1mM

#	Name	Isotope labeling	Type	Concentration
1	HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR	[U-13C; U-15N]		0.75 (±0.25) mM

LACS Plot; CA

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

Referencing offset: -0.08 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.76 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 25 models in PDB: 4CRP, Strand ID: A Detail

Release date

2015-01-11

Citation

GDNF, NGF and BDNF as therapeutic options for neurodegeneration
Allen, S.J., Watson, J.J., Shoemark, D.K., Barua, N.U., Patel, N.K.
Pharmacol. Ther. (2013), 138, 155-175, PubMed 23348013 , DOI 10.1016/j.pharmthera.2013.01.004 , Abstract

Related entities 1. Solution structure of a TrkAIg2 domain construct for use in drug discovery, : 1 : 2 : 63 entities Detail

Interaction partners 1. Solution structure of a TrkAIg2 domain construct for use in drug discovery, : 14 interactors Detail

More details for 14 interactors identified by 10 citations

Experiments performed 7 experiments Detail

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_19824_4crp.nef
Input source #2: Coordindates	4crp.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:9:CYS:SG	A:91:CYS:SG	oxidized, CA 58.686, CB 41.978 ppm	oxidized, CA 57.462, CB 41.648 ppm	2.019
A:24:CYS:SG	A:69:CYS:SG	oxidized, CA 55.158, CB 51.242 ppm	oxidized, CA 55.075, CB 47.541 ppm	2.023

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-------100
DDDDDVSFCASVQLHTAVEMHHWCIPFSVDGQPAPSLRWLFNGSVLNETSFIFTEFLEPAANETVRHGCLRLNQPTHVNNGNYTLLAANPCGQASASIMA
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DDDDDVSFCASVQLHTAVEMHHWCIPFSVDGQPAPSLRWLFNGSVLNETSFIFTEFLEPAANETVRHGCLRLNQPTHVNNGNYTLLAANPCGQASASIMA

-------
AFMDNPF
|||||||
AFMDNPF

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	107	0	0	100.0

Content subtype: combined_19824_4crp.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	Warning	1128		95.3 (chain: A, length: 107)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	2273 (1)	noe	95.3 (chain: A, length: 107)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 107, Sequence coverage: 95.3%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
DDDDDVSFCASVQLHTAVEMHHWCIPFSVDGQPAPSLRWLFNGSVLNETSFIFTEFLEPAANETVRHGCLRLNQPTHVNNGNYTLLAANPCGQASASIMA
     |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
.....VSFCASVQLHTAVEMHHWCIPFSVDGQPAPSLRWLFNGSVLNETSFIFTEFLEPAANETVRHGCLRLNQPTHVNNGNYTLLAANPCGQASASIMA

-------
AFMDNPF
|||||||
AFMDNPF

Total number of assignments
- ¹H chemical shifts: 574
- ¹³C chemical shifts: 441
- ¹⁵N chemical shifts: 113

Completeness of assignments

Entity_assemble_ID: A

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
13	GLN	CD	180.477
32	GLN	CD	180.201
42	ASN	CG	176.428
47	ASN	CG	176.529
62	ASN	CG	178.161
73	ASN	CG	174.499
74	GLN	CD	181.127
79	ASN	CG	176.334
80	ASN	CG	175.869
82	ASN	CG	175.155
89	ASN	CG	176.107
93	GLN	CD	180.123
105	ASN	CG	176.28

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	610	574	94.1
¹³C chemical shifts	471	428	90.9
¹⁵N chemical shifts	118	113	95.8

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	212	202	95.3
¹³C chemical shifts	214	203	94.9
¹⁵N chemical shifts	100	95	95.0

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	398	372	93.5
¹³C chemical shifts	257	225	87.5
¹⁵N chemical shifts	18	18	100.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	58	58	100.0
¹³C chemical shifts	58	55	94.8

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	66	59	89.4
¹³C chemical shifts	64	45	70.3
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

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: 107, Sequence coverage: 95.3%
- Total number of restraints: 2259
- Weight of restraints: 1.0 (2259)
- Potential type of restraints: square-well-parabolic (2259)
- Range of distance target values: 1.47, 7.16 (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

Keywords Alzheimers, drug discovery, NMR construct, pain, TRANSFERASE, TrkA, TrkAIg2

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Found 1 Document (1.029 seconds)

BMRB: 19824

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Solution structure of a TrkAIg2 domain construct for use in drug discovery, : 1 : 2 : 63 entities Detail

Interaction partners 1. Solution structure of a TrkAIg2 domain construct for use in drug discovery, : 14 interactors Detail

Experiments performed 7 experiments Detail

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NMR combined restraints 3 contents Detail