BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	95.8 % (1089 of 1137)	94.9 % (558 of 588)	96.4 % (427 of 443)	98.1 % (104 of 106)
Backbone	97.2 % (587 of 604)	96.7 % (204 of 211)	97.3 % (287 of 295)	98.0 % (96 of 98)
Sidechain	94.9 % (592 of 624)	93.9 % (354 of 377)	96.2 % (230 of 239)	100.0 % (8 of 8)
Aromatic	77.8 % (28 of 36)	94.4 % (17 of 18)	61.1 % (11 of 18)
Methyl	97.1 % (134 of 138)	94.2 % (65 of 69)	100.0 % (69 of 69)

1. Par-6

GSETHRRVRL LKHGSDKPLG FYIRDGTSVR VTASGLEKQP GIFISRLVPG GLAESTGLLA VNDEVIEVNG IEVAGKTLDQ VTDMMVANSS NLIITVKPAN QR

Show sample condition

Sample

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5, Details 1.0 mM Par-6 (156-255) U-15N/13C, 20 mM sodium phosphate, 50 mM sodium chloride

#	Name	Isotope labeling	Concentration
1	Par-6	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	potassium chloride	natural abundance	50 mM

LACS Plot; CA

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

Referencing offset: -0.48 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.48 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.03 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LC7, Strand ID: A Detail

Release date

2011-11-30

Citation

A conformational switch in the CRIB-PDZ module of Par-6
Whitney, D.S., Peterson, F.C., Volkman, B.F.
Structure (2011), 19, 1711-1722, PubMed 22078569 , DOI 10.1016/j.str.2011.07.018 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 17599 released on 2011-11-30
Title Solution structure of Par-6 Q144C/L164C

Related entities 1. Par-6, : 1 : 1 : 5 : 194 entities Detail

Interaction partners 1. Par-6, : 13 interactors Detail

More details for 13 interactors identified by 5 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_17600_2lc7.nef
Input source #2: Coordindates	2lc7.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

----160-------170-------180-------190-------200-------210-------220-------230-------240-------250---
GSETHRRVRLLKHGSDKPLGFYIRDGTSVRVTASGLEKQPGIFISRLVPGGLAESTGLLAVNDEVIEVNGIEVAGKTLDQVTDMMVANSSNLIITVKPAN
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSETHRRVRLLKHGSDKPLGFYIRDGTSVRVTASGLEKQPGIFISRLVPGGLAESTGLLAVNDEVIEVNGIEVAGKTLDQVTDMMVANSSNLIITVKPAN
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

--
QR
||
QR
--

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	102	0	0	100.0

Content subtype: combined_17600_2lc7.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1086		98.0 (chain: A, length: 102)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Warning	2021 (1)	noe	98.0 (chain: A, length: 102)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	130 (130)	.	87.3 (chain: A, length: 102)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 102, Sequence coverage: 98.0%
- Total number of assignments
  - ¹H chemical shifts: 556
  - ¹³C chemical shifts: 427
  - ¹⁵N chemical shifts: 103
- 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	588	556	94.6
¹³C chemical shifts	443	427	96.4
¹⁵N chemical shifts	113	103	91.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	211	206	97.6
¹³C chemical shifts	204	197	96.6
¹⁵N chemical shifts	98	95	96.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	377	350	92.8
¹³C chemical shifts	239	230	96.2
¹⁵N chemical shifts	15	8	53.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	71	63	88.7
¹³C chemical shifts	71	71	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	18	17	94.4
¹³C chemical shifts	18	11	61.1

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 102, Sequence coverage: 98.0%
- Total number of restraints: 2018
- Weight of restraints: 1.0 (2018)
- Potential type of restraints: upper-bound-parabolic (2018)
- Range of distance target values: 2.17, 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: 102, Sequence coverage: 87.3%
- Total number of restraints: 130
- Total number of restraints per polymer type: 130
- Weight of restraints: 1.0 (130)
- Potential type of restraints: square-well-parabolic (130)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords allostery, Cdc42, cell polarity, CRIB, GTPase, NMR, Par-6, PDZ domain

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BMRB: 17600

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Par-6, : 1 : 1 : 5 : 194 entities Detail

Interaction partners 1. Par-6, : 13 interactors Detail

Experiments performed 3 experiments Detail

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Instrument

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Instrument

Sample

NMR combined restraints 4 contents Detail