BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	82.8 % (1052 of 1271)	78.6 % (522 of 664)	85.9 % (421 of 490)	93.2 % (109 of 117)
Backbone	92.4 % (610 of 660)	92.7 % (215 of 232)	91.9 % (294 of 320)	93.5 % (101 of 108)
Sidechain	75.2 % (533 of 709)	71.1 % (307 of 432)	81.3 % (218 of 268)	88.9 % (8 of 9)
Aromatic	80.0 % (40 of 50)	96.0 % (24 of 25)	64.0 % (16 of 25)
Methyl	77.5 % (107 of 138)	75.4 % (52 of 69)	79.7 % (55 of 69)

1. mPar3 PDZ2

GSVYNTKKVG KRLNIQLKKG TEGLGFSITS RDVTIGGSAP IYVKNILPRG AAIQDGRLKA GDRLIEVNGV DLAGKSQEEV VSLLRSTKME GTVSLLVFRQ EEAFHPREMN A

Show sample condition

Sample

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 1.0 mM Par3 PDZ2(450-558) U-15N/13C, 20 mM sodium phosphate, 50 mM sodium chloride

#	Name	Isotope labeling	Concentration
1	mPar3 PDZ2	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	sodium azide	natural abundance	0.02 %
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 protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.42 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	na	indirect	0.1013291

Referencing offset: -0.42 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	na	indirect	0.1013291

Referencing offset: -0.08 ppm, Outliers: 3 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	na	indirect	0.1013291

Referencing offset: 0.5 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2010-05-12

Citation

Macromolecular Structure Determination by NMR Sepectroscopy
Markley, J.L., Bahrami, A., Eghbalnia, H.R., Peterson, F.C., Ulrich, E.L., Westler, W.M., Volkman, B.F.
Structural Bioinformatics 2nd edition (2009), 93-142, PubMed , DOI:

Related entities 1. mPar3 PDZ2, : 1 : 2 : 2 : 227 entities Detail

Interaction partners 1. mPar3 PDZ2, : 13 interactors Detail

More details for 13 interactors identified by 9 citations

Experiments performed 3 experiments Detail

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_16515_2koj.nef
Input source #2: Coordindates	2koj.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

--450-----460-------470-------480-------490-------500-------510-------520-------530-------540-------
GSVYNTKKVGKRLNIQLKKGTEGLGFSITSRDVTIGGSAPIYVKNILPRGAAIQDGRLKAGDRLIEVNGVDLAGKSQEEVVSLLRSTKMEGTVSLLVFRQ
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSVYNTKKVGKRLNIQLKKGTEGLGFSITSRDVTIGGSAPIYVKNILPRGAAIQDGRLKAGDRLIEVNGVDLAGKSQEEVVSLLRSTKMEGTVSLLVFRQ
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

550--------
EEAFHPREMNA
|||||||||||
EEAFHPREMNA
-------110-

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	111	0	0	100.0

Content subtype: combined_16515_2koj.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1036		96.4 (chain: A, length: 111)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Warning	1715 (1)	noe	90.1 (chain: A, length: 111)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	117 (117)	.	76.6 (chain: A, length: 111)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 111, Sequence coverage: 96.4%
- Total number of assignments
  - ¹H chemical shifts: 521
  - ¹³C chemical shifts: 407
  - ¹⁵N chemical shifts: 108
- Completeness of assignments
  - Entity_assemble_ID: A
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	664	521	78.5
¹³C chemical shifts	490	407	83.1
¹⁵N chemical shifts	125	108	86.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	232	215	92.7
¹³C chemical shifts	222	201	90.5
¹⁵N chemical shifts	108	100	92.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	432	306	70.8
¹³C chemical shifts	268	206	76.9
¹⁵N chemical shifts	17	8	47.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	71	50	70.4
¹³C chemical shifts	71	50	70.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	25	24	96.0
¹³C chemical shifts	25	14	56.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 111, Sequence coverage: 90.1%
- Total number of restraints: 1714
- Weight of restraints: 1.0 (1714)
- Potential type of restraints: upper-bound-parabolic (1714)
- Range of distance target values: 3.07, 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

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 111, Sequence coverage: 76.6%
- Total number of restraints: 117
- Total number of restraints per polymer type: 117
- Weight of restraints: 1.0 (117)
- Potential type of restraints: square-well-parabolic (117)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Par-3, PDZ domain, structural genomics

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Found 1 Document (1.023 seconds)

BMRB: 16515

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. mPar3 PDZ2, : 1 : 2 : 2 : 227 entities Detail

Interaction partners 1. mPar3 PDZ2, : 13 interactors Detail

Experiments performed 3 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 4 contents Detail