BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	84.6 % (931 of 1101)	82.5 % (476 of 577)	87.0 % (362 of 416)	86.1 % (93 of 108)
Backbone	97.9 % (570 of 582)	96.6 % (197 of 204)	98.9 % (280 of 283)	97.9 % (93 of 95)
Sidechain	73.8 % (447 of 606)	74.8 % (279 of 373)	76.4 % (168 of 220)	0.0 % (0 of 13)
Aromatic	3.7 % (2 of 54)	7.4 % (2 of 27)	0.0 % (0 of 27)
Methyl	90.0 % (81 of 90)	93.3 % (42 of 45)	86.7 % (39 of 45)

1. PfSUMO

MGDDDSAVNN NGSSPVNNQG EHIQVKVRSP DGAEVFFKIK RKTKLEKLME VYCNRLGQSM EAVRFLYDGD RIHGDNTPEQ LGIEDGDVID AMVQQTGG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7, Details 20 mM TRIS, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	PfSUMO	[U-100% 15N]	protein	1 mM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	50 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7, Details 20 mM TRIS, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
6	PfSUMO	[U-100% 13C; U-100% 15N]	protein	1 mM
7	TRIS	natural abundance	buffer	20 mM
8	sodium chloride	natural abundance	salt	50 mM
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

LACS Plot; CA

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

Referencing offset: 0.05 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: 0.05 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.03 ppm, Outliers: 5 Detail

LACS Plot; CO

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

Referencing offset: 0.09 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 5GJL, Strand ID: A Detail

Release date

2016-08-01

Citation

Backbone and side-chain resonance assignments of Plasmodium falciparum SUMO
Singh, J.S., Shukla, V.K., Gujrati, M., Mishra, R.K., Kumar, A.
Biomol. NMR Assign. (2017), 11, 17-20, PubMed 27699617 , DOI 10.1007/s12104-016-9712-9 , Abstract

Related entities 1. PfSUMO, : 1 : 1 : 173 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker ASCEND - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7, Details 20 mM TRIS, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	PfSUMO	[U-100% 15N]	protein	1 mM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	50 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

2 3D CBCA(CO)NH

Instrument

Bruker ASCEND - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7, Details 20 mM TRIS, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
6	PfSUMO	[U-100% 13C; U-100% 15N]	protein	1 mM
7	TRIS	natural abundance	buffer	20 mM
8	sodium chloride	natural abundance	salt	50 mM
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

3 3D HNCACB

Instrument

Bruker ASCEND - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7, Details 20 mM TRIS, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
6	PfSUMO	[U-100% 13C; U-100% 15N]	protein	1 mM
7	TRIS	natural abundance	buffer	20 mM
8	sodium chloride	natural abundance	salt	50 mM
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

4 3D HNCO

Instrument

Bruker ASCEND - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7, Details 20 mM TRIS, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
6	PfSUMO	[U-100% 13C; U-100% 15N]	protein	1 mM
7	TRIS	natural abundance	buffer	20 mM
8	sodium chloride	natural abundance	salt	50 mM
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

5 3D HCCH-TOCSY

Instrument

Bruker ASCEND - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7, Details 20 mM TRIS, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
6	PfSUMO	[U-100% 13C; U-100% 15N]	protein	1 mM
7	TRIS	natural abundance	buffer	20 mM
8	sodium chloride	natural abundance	salt	50 mM
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

6 3D HCCcoNH

Instrument

Bruker ASCEND - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7, Details 20 mM TRIS, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
6	PfSUMO	[U-100% 13C; U-100% 15N]	protein	1 mM
7	TRIS	natural abundance	buffer	20 mM
8	sodium chloride	natural abundance	salt	50 mM
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

7 3D CCcoNH

Instrument

Bruker ASCEND - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7, Details 20 mM TRIS, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
6	PfSUMO	[U-100% 13C; U-100% 15N]	protein	1 mM
7	TRIS	natural abundance	buffer	20 mM
8	sodium chloride	natural abundance	salt	50 mM
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

8 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7, Details 20 mM TRIS, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	PfSUMO	[U-100% 15N]	protein	1 mM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	50 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

9 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7, Details 20 mM TRIS, 50 mM sodium chloride, 100% D2O

#	Name	Isotope labeling	Type	Concentration
11	PfSUMO	[U-100% 13C; U-100% 15N]	protein	1 mM
12	TRIS	natural abundance	buffer	20 mM
13	sodium chloride	natural abundance	salt	50 mM
14	D2O	[U-2H]	solvent	100 %

10 2D 1H-13C HSQC

Instrument

Bruker ASCEND - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7, Details 20 mM TRIS, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
6	PfSUMO	[U-100% 13C; U-100% 15N]	protein	1 mM
7	TRIS	natural abundance	buffer	20 mM
8	sodium chloride	natural abundance	salt	50 mM
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_36011_5gjl.nef
Input source #2: Coordindates	5gjl.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--------
MGDDDSAVNNNGSSPVNNQGEHIQVKVRSPDGAEVFFKIKRKTKLEKLMEVYCNRLGQSMEAVRFLYDGDRIHGDNTPEQLGIEDGDVIDAMVQQTGG
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGDDDSAVNNNGSSPVNNQGEHIQVKVRSPDGAEVFFKIKRKTKLEKLMEVYCNRLGQSMEAVRFLYDGDRIHGDNTPEQLGIEDGDVIDAMVQQTGG

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	98	0	0	100.0

Content subtype: combined_36011_5gjl.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	918		99.0 (chain: A, length: 98)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	1527 (1)	noe	94.9 (chain: A, length: 98)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	136 (136)	.	82.7 (chain: A, length: 98)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 98, Sequence coverage: 99.0%
- Total number of assignments
  - ¹H chemical shifts: 470
  - ¹³C chemical shifts: 355
  - ¹⁵N chemical shifts: 93
- 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	577	469	81.3
¹³C chemical shifts	416	355	85.3
¹⁵N chemical shifts	113	93	82.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	204	198	97.1
¹³C chemical shifts	196	194	99.0
¹⁵N chemical shifts	95	93	97.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	373	271	72.7
¹³C chemical shifts	220	161	73.2
¹⁵N chemical shifts	18	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	49	43	87.8
¹³C chemical shifts	49	37	75.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	27	0	0.0
¹³C chemical shifts	27	0	0.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 98, Sequence coverage: 94.9%
- Total number of restraints: 1520
- Weight of restraints: 1.0 (1520)
- Potential type of restraints: square-well-parabolic (1520)
- Range of distance target values: 2.0, 3.25 (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: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 98, Sequence coverage: 82.7%
- Total number of restraints: 136
- Total number of restraints per polymer type: 136
- Weight of restraints: 1.0 (136)
- Potential type of restraints: square-well-parabolic (136)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords SUMO

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Found 1 Document (0.762 seconds)

BMRB: 36011

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. PfSUMO, : 1 : 1 : 173 entities Detail

Experiments performed 10 experiments Detail

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NMR combined restraints 4 contents Detail