BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	74.8 % (842 of 1126)	78.0 % (444 of 569)	65.5 % (296 of 452)	97.1 % (102 of 105)
Backbone	81.8 % (507 of 620)	93.5 % (203 of 217)	68.0 % (206 of 303)	98.0 % (98 of 100)
Sidechain	71.1 % (426 of 599)	68.5 % (241 of 352)	74.8 % (181 of 242)	80.0 % (4 of 5)
Aromatic	12.8 % (10 of 78)	12.8 % (5 of 39)	12.8 % (5 of 39)
Methyl	89.7 % (131 of 146)	90.4 % (66 of 73)	89.0 % (65 of 73)

1. entity

PLTRPYLGFR VAVGRDSSGC TTLSIQEVTQ TYTGSNGGAD LMGPAFAAGL RVGDQLVRFA GYTVTELAAF NTVVARHVRP SASIPVVFSR DGVVMSATIV VGELE

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-13C; U-15N]		0.5 mM
2	sodium chloride	natural abundance		100 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	direct	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	direct	0.0

Referencing offset: 0.8 ppm, Outliers: 7 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	direct	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	direct	0.0

Referencing offset: 0.8 ppm, Outliers: 7 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	direct	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	direct	0.0

Referencing offset: -0.06 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N7P, Strand ID: A Detail

Release date

2015-10-04

Citation

Solution structure of Q388A3 PDZ domain from Trypanosoma brucei
Mei, S., Dong, Y., Zhang, J., Zhang, X., Tu, X.
J. Struct. Biol. (2016), 194, 214-217, PubMed 26917351 , DOI 10.1016/j.jsb.2016.02.018 , Abstract

Related entities 1. PDZ domain, : 10 entities Detail

Experiments performed 1 experiments Detail

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_25816_2n7p.nef
Input source #2: Coordindates	2n7p.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

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

-----
VGELE
|||||
VGELE

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	105	0	0	100.0

Content subtype: combined_25816_2n7p.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	818		100.0 (chain: A, length: 105)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	909 (1)	noe	99.0 (chain: A, length: 105)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	Warning	36 (1)	hbond	21.0 (chain: A, length: 105)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	103 (103)	.	78.1 (chain: A, length: 105)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 105, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 440
  - ¹³C chemical shifts: 276
  - ¹⁵N chemical shifts: 102
- 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	569	440	77.3
¹³C chemical shifts	452	276	61.1
¹⁵N chemical shifts	113	102	90.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	217	206	94.9
¹³C chemical shifts	210	103	49.0
¹⁵N chemical shifts	100	98	98.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	352	234	66.5
¹³C chemical shifts	242	173	71.5
¹⁵N chemical shifts	13	4	30.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	75	66	88.0
¹³C chemical shifts	75	62	82.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	39	0	0.0
¹³C chemical shifts	39	0	0.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 105, Sequence coverage: 99.0%
- Total number of restraints: 909
- Weight of restraints: 1.0 (909)
- Potential type of restraints: square-well-parabolic (909)
- Range of distance target values: 2.7, 4.15 (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_3
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 105, Sequence coverage: 21.0%
  - Total number of restraints: 36
  - Weight of restraints: 1.0 (36)
  - Potential type of restraints: square-well-parabolic (36)
  - Range of distance target values: 2.5, 3.5 (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_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 105, Sequence coverage: 78.1%
- Total number of restraints: 103
- Total number of restraints per polymer type: 103
- Weight of restraints: 1.0 (103)
- Potential type of restraints: square-well-parabolic (103)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords PDZ

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 (0.664 seconds)

BMRB: 25816

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. PDZ domain, : 10 entities Detail

Experiments performed 1 experiments Detail

Instrument

Sample

NMR combined restraints 5 contents Detail