BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	93.9 % (1390 of 1480)	94.3 % (733 of 777)	93.7 % (531 of 567)	92.6 % (126 of 136)
Backbone	93.1 % (683 of 734)	93.3 % (236 of 253)	92.3 % (334 of 362)	95.0 % (113 of 119)
Sidechain	93.8 % (807 of 860)	93.7 % (491 of 524)	95.0 % (303 of 319)	76.5 % (13 of 17)
Aromatic	91.4 % (128 of 140)	91.4 % (64 of 70)	90.9 % (60 of 66)	100.0 % (4 of 4)
Methyl	100.0 % (106 of 106)	100.0 % (53 of 53)	100.0 % (53 of 53)

1. split PH domain from Phospholipase C gamma 2

GGGSGGSKKD EHKQQGELYM WDSIDQKWTR HYCAIADAKL SFSDDIEQTM EEDNPLGSLC RGILDLNTYN VVKAPQGKNQ KSFVFILEPK QQGDPPVEFA TDRVEELFEW FQSIREITWK IDTK

Show sample condition

Sample #1

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 25mM Na phosphate buffer; 150mM NaCl; 1mM EDTA; 5mM DTT; pH 6.5

#	Name	Isotope labeling	Concentration
1	split PH domain from Phospholipase C gamma 2	[U-15N]	0.8-1.0 mM
2	Na phosphate buffer		25 mM
3	NaCl		150 mM
4	EDTA		1 mM
5	DTT		5 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 25mM Na phosphate buffer; 150mM NaCl; 1mM EDTA; 5mM DTT; pH 6.5

#	Name	Isotope labeling	Concentration
6	split PH domain from Phospholipase C gamma 2	[U-13C; U-15N]	0.8-1.0 mM
7	Na phosphate buffer		25 mM
8	NaCl		150 mM
9	EDTA		1 mM
10	DTT		5 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: 0.02 ppm, Outliers: 3 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: 0.02 ppm, Outliers: 3 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: -0.05 ppm, Outliers: 3 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: 0.1 ppm, Outliers: 5 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K2J, Strand ID: A Detail

Release date

2008-09-15

Citation

rac regulates its effector phospholipase Cgamma2 through interaction with a split pleckstrin homology domain
Walliser, C., Retlich, M., Harris, R., Everett, K.L., Josephs, M.B., Vatter, P., Esposito, D., Driscoll, P.C., Katan, M., Gierschik, P., Bunney, T.D.
J. Biol. Chem. (2008), 283, 30351-30362, PubMed 18728011 , DOI 10.1074/jbc.M803316200 , Abstract

Related entities 1. split PH domain from Phospholipase C gamma 2, : 1 : 3 : 9 entities Detail

Experiments performed 3 experiments Detail

NMR combined restraints 9 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15707_2k2j.nef
Input source #2: Coordindates	2k2j.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
GGGSGGSKKDEHKQQGELYMWDSIDQKWTRHYCAIADAKLSFSDDIEQTMEEDNPLGSLCRGILDLNTYNVVKAPQGKNQKSFVFILEPKQQGDPPVEFA
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GGGSGGSKKDEHKQQGELYMWDSIDQKWTRHYCAIADAKLSFSDDIEQTMEEDNPLGSLCRGILDLNTYNVVKAPQGKNQKSFVFILEPKQQGDPPVEFA

-------110-------120----
TDRVEELFEWFQSIREITWKIDTK
||||||||||||||||||||||||
TDRVEELFEWFQSIREITWKIDTK

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	124	0	0	100.0

Content subtype: combined_15707_2k2j.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1364		94.4 (chain: A, length: 124)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	879 (1)	noe	93.5 (chain: A, length: 124)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	605 (1)	noe	94.4 (chain: A, length: 124)
3	Distance restraints	CNS/XPLOR_distance_constraints_8	OK	815 (1)	noe	69.4 (chain: A, length: 124)
4	Distance restraints	CNS/XPLOR_distance_constraints_6	OK	425 (1)	noe	66.1 (chain: A, length: 124)
5	Distance restraints	CNS/XPLOR_distance_constraints_10	Warning	19 (1)	noe	17.7 (chain: A, length: 124)
6	Distance restraints	CNS/XPLOR_distance_constraints_12	OK	70 (1)	hbond	37.9 (chain: A, length: 124)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_13	OK	114 (114)	.	58.1 (chain: A, length: 124)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 94.4%
- Total number of assignments
  - ¹³C chemical shifts: 522
  - ¹H chemical shifts: 718
  - ¹⁵N chemical shifts: 124
- Completeness of assignments
  - Entity_assemble_ID: A
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	567	522	92.1
¹H chemical shifts	777	718	92.4
¹⁵N chemical shifts	140	124	88.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	248	221	89.1
¹H chemical shifts	253	231	91.3
¹⁵N chemical shifts	119	111	93.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	319	301	94.4
¹H chemical shifts	524	487	92.9
¹⁵N chemical shifts	21	13	61.9

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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	66	60	90.9
¹H chemical shifts	70	64	91.4
¹⁵N chemical shifts	4	4	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 93.5%
- Total number of restraints: 879
- Weight of restraints: 1.0 (879)
- Potential type of restraints: square-well-parabolic (879)
- Range of distance target values: 2.4, 3.9 (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: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 94.4%
  - Total number of restraints: 603
  - Weight of restraints: 1.0 (603)
  - Potential type of restraints: square-well-parabolic (603)
  - Range of distance target values: 2.4, 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_8
    - Status: OK
    - Experiment type: noe
    - Sequence coverage of experimental data
      - Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 69.4%
    - Total number of restraints: 814
    - Weight of restraints: 1.0 (814)
    - Potential type of restraints: square-well-parabolic (814)
    - Range of distance target values: 2.65, 4.4 (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_6
      - Status: OK
      - Experiment type: noe
      - Sequence coverage of experimental data
        Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 66.1%
        --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GGGSGGSKKDEHKQQGELYMWDSIDQKWTRHYCAIADAKLSFSDDIEQTMEEDNPLGSLCRGILDLNTYNVVKAPQGKNQKSFVFILEPKQQGDPPVEFA ||||||| | | |||||||||||||||| | ||| | ||||||||| |||| || ||||||||| || || | | ....................WDSIDQK.T..Y.AIADAKLSFSDDIEQT.E.DNP....C.GILDLNTYN.VKAP.GK..KSFVFILEP.QQ.DP.V.F. --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120---- TDRVEELFEWFQSIREITWKIDTK ||||||||||||||||||||| | TDRVEELFEWFQSIREITWKI.T -------110-------120---
      - Total number of restraints: 425
        Medium range restraints, 1 < | i - j | < 5 : 356
        Backbone-backbone: 70
        Backbone-side chain: 146
        Side chain-side chain: 140
        Long range restraints, | i - j | >= 5 : 69
      - Weight of restraints: 1.0 (425)
        Medium range restraints, 1 < | i - j | < 5 : 1.0 (356)
        Backbone-backbone: 1.0 (70)
        Backbone-side chain: 1.0 (146)
        Side chain-side chain: 1.0 (140)
        Long range restraints, | i - j | >= 5 : 1.0 (69)
      - Potential type of restraints: square-well-parabolic (425)
        Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (356)
        Backbone-backbone: square-well-parabolic (70)
        Backbone-side chain: square-well-parabolic (146)
        Side chain-side chain: square-well-parabolic (140)
        Long range restraints, | i - j | >= 5 : square-well-parabolic (69)
      - Range of distance target values: 2.4, 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
        Chain_ID_1: A - Chain_ID_2: A
      - Saveframe: CNS/XPLOR_distance_constraints_10
        Status: Warning
        Experiment type: noe
        Sequence coverage of experimental data
        Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 17.7%
        Total number of restraints: 19
        Sequential restraints, | i - j | = 1 : 1
        Backbone-side chain: 1
        Medium range restraints, 1 < | i - j | < 5 : 3
        Backbone-side chain: 1
        Side chain-side chain: 2
        Long range restraints, | i - j | >= 5 : 15
        Weight of restraints: 1.0 (19)
        Sequential restraints, | i - j | = 1 : 1.0 (1)
        Backbone-side chain: 1.0 (1)
        Medium range restraints, 1 < | i - j | < 5 : 1.0 (3)
        Backbone-side chain: 1.0 (1)
        Side chain-side chain: 1.0 (2)
        Long range restraints, | i - j | >= 5 : 1.0 (15)
        Potential type of restraints: square-well-parabolic (19)
        Sequential restraints, | i - j | = 1 : square-well-parabolic (1)
        Backbone-side chain: square-well-parabolic (1)
        Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (3)
        Backbone-side chain: square-well-parabolic (1)
        Side chain-side chain: square-well-parabolic (2)
        Long range restraints, | i - j | >= 5 : square-well-parabolic (15)
        Range of distance target values: 2.9, 3.9 (Å)
        Histogram of distance target values
        Distance restraints per residue
        Chain_ID: A
        Distance restraints on contact map
        Saveframe: CNS/XPLOR_distance_constraints_12
        Status: OK
        Experiment type: hbond
        Sequence coverage of experimental data
        Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 37.9%
        Total number of restraints: 70
        Total hydrogen bond restraints: 70
        O...h-N: 13
        O...H-x: 13
        Long range: 44
        O...h-N: 22
        O...H-x: 22
        Weight of restraints: 1.0 (70)
        Total hydrogen bond restraints: 1.0 (70)
        O...h-N: 1.0 (13)
        O...H-x: 1.0 (13)
        Long range: 1.0 (44)
        O...h-N: 1.0 (22)
        O...H-x: 1.0 (22)
        Potential type of restraints: square-well-parabolic (70)
        Total hydrogen bond restraints: square-well-parabolic (70)
        O...h-N: square-well-parabolic (13)
        O...H-x: square-well-parabolic (13)
        Long range: square-well-parabolic (44)
        O...h-N: square-well-parabolic (22)
        O...H-x: square-well-parabolic (22)
        Range of distance target values: 2.05, 3.05 (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_13
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 58.1%
- Total number of restraints: 114
- Total number of restraints per polymer type: 114
- Weight of restraints: 1.0 (114)
- Potential type of restraints: square-well-parabolic (114)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords C-terminal helix, two sheeted beta barrel

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Found 1 Document (0.757 seconds)

BMRB: 15707

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. split PH domain from Phospholipase C gamma 2, : 1 : 3 : 9 entities Detail

Experiments performed 3 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 9 contents Detail