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 : 168 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

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 (0.63 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 : 168 entities Detail

Experiments performed 10 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 4 contents Detail