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BMRB: 19530

2MH9

Resonance assignment of RQC domain of human Bloom syndrome protein

Authors

Ko, J., Ryu, K., Choi, B.

Assembly

BLM RQC

Entity

1. BLM RQC (polymer, Thiol state: all free), 144 monomers, 16089.31 Da Detail

CKTKDYKTRD VTDDVKSIVR FVQEHSSSQG MRNIKHVGPS GRFTMNMLVD IFLGSKSAKI QSGIFGKGSA YSRHNAERLF KKLILDKILD EDLYINANDQ AIAYVMLGNK AQTVLNGNLK VDFMETENSS SVKKQKALVA KVSQ

Formula weight

16089.31 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 86.8 %, Completeness: 70.2 %, Completeness (bb): 70.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	70.2 % (1193 of 1699)	78.4 % (696 of 888)	56.6 % (369 of 652)	80.5 % (128 of 159)
Backbone	70.2 % (605 of 862)	83.8 % (248 of 296)	56.3 % (238 of 423)	83.2 % (119 of 143)
Sidechain	71.1 % (691 of 972)	75.7 % (448 of 592)	64.3 % (234 of 364)	56.3 % (9 of 16)
Aromatic	68.3 % (71 of 104)	88.5 % (46 of 52)	48.1 % (25 of 52)
Methyl	84.8 % (134 of 158)	91.1 % (72 of 79)	78.5 % (62 of 79)

1. BLM RQC

CKTKDYKTRD VTDDVKSIVR FVQEHSSSQG MRNIKHVGPS GRFTMNMLVD IFLGSKSAKI QSGIFGKGSA YSRHNAERLF KKLILDKILD EDLYINANDQ AIAYVMLGNK AQTVLNGNLK VDFMETENSS SVKKQKALVA KVSQ

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	BLM RQC	[U-99% 13C; U-99% 15N]	protein	0.8 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	natural abundance	solvent	10 %
4	DTT	natural abundance	buffer	1 mM
5	Tris	natural abundance	buffer	20 mM
6	Sodium Chloride	natural abundance	salt	100 mM

LACS Plot; CA

Referencing offset: 2.73 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 2.73 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.08 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2MH9, Strand ID: A Detail

Release date

2014-04-15

Citation

Solution structure of the RecQ C-terminal domain of human Bloom syndrome protein
Park, C., Ko, J., Ryu, K., Choi, B.
J. Biomol. NMR (2014), 58, 141-147, PubMed 24435566 , DOI 10.1007/s10858-014-9812-8 , Abstract

Related entities 1. BLM RQC, : 1 : 5 : 2 : 13 entities Detail

Interaction partners 1. BLM RQC, : 42 interactors Detail

More details for 42 interactors identified by 25 citations

Experiments performed 9 experiments Detail

1 3D CBCA(CO)NH

Instrument

Bruker Avance - 900 MHz equipped with a cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	BLM RQC	[U-99% 13C; U-99% 15N]	protein	0.8 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	natural abundance	solvent	10 %
4	DTT	natural abundance	buffer	1 mM
5	Tris	natural abundance	buffer	20 mM
6	Sodium Chloride	natural abundance	salt	100 mM

2 3D HNCACB

Instrument

Bruker Avance - 900 MHz equipped with a cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	BLM RQC	[U-99% 13C; U-99% 15N]	protein	0.8 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	natural abundance	solvent	10 %
4	DTT	natural abundance	buffer	1 mM
5	Tris	natural abundance	buffer	20 mM
6	Sodium Chloride	natural abundance	salt	100 mM

3 3D HNCO

Instrument

Bruker Avance - 900 MHz equipped with a cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	BLM RQC	[U-99% 13C; U-99% 15N]	protein	0.8 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	natural abundance	solvent	10 %
4	DTT	natural abundance	buffer	1 mM
5	Tris	natural abundance	buffer	20 mM
6	Sodium Chloride	natural abundance	salt	100 mM

4 3D HBHA(CO)NH

Instrument

Bruker Avance - 900 MHz equipped with a cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	BLM RQC	[U-99% 13C; U-99% 15N]	protein	0.8 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	natural abundance	solvent	10 %
4	DTT	natural abundance	buffer	1 mM
5	Tris	natural abundance	buffer	20 mM
6	Sodium Chloride	natural abundance	salt	100 mM

5 3D HCCH-TOCSY

Instrument

Bruker Avance - 900 MHz equipped with a cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	BLM RQC	[U-99% 13C; U-99% 15N]	protein	0.8 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	natural abundance	solvent	10 %
4	DTT	natural abundance	buffer	1 mM
5	Tris	natural abundance	buffer	20 mM
6	Sodium Chloride	natural abundance	salt	100 mM

6 3D 1H-15N NOESY

Instrument

Bruker Avance - 900 MHz equipped with a cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	BLM RQC	[U-99% 13C; U-99% 15N]	protein	0.8 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	natural abundance	solvent	10 %
4	DTT	natural abundance	buffer	1 mM
5	Tris	natural abundance	buffer	20 mM
6	Sodium Chloride	natural abundance	salt	100 mM

7 3D 1H-13C NOESY

Instrument

Bruker Avance - 900 MHz equipped with a cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	BLM RQC	[U-99% 13C; U-99% 15N]	protein	0.8 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	natural abundance	solvent	10 %
4	DTT	natural abundance	buffer	1 mM
5	Tris	natural abundance	buffer	20 mM
6	Sodium Chloride	natural abundance	salt	100 mM

8 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 900 MHz equipped with a cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	BLM RQC	[U-99% 13C; U-99% 15N]	protein	0.8 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	natural abundance	solvent	10 %
4	DTT	natural abundance	buffer	1 mM
5	Tris	natural abundance	buffer	20 mM
6	Sodium Chloride	natural abundance	salt	100 mM

9 3D C(CO)NH

Instrument

Bruker Avance - 900 MHz equipped with a cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	BLM RQC	[U-99% 13C; U-99% 15N]	protein	0.8 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	natural abundance	solvent	10 %
4	DTT	natural abundance	buffer	1 mM
5	Tris	natural abundance	buffer	20 mM
6	Sodium Chloride	natural abundance	salt	100 mM

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_19530_2mh9.nef
Input source #2: Coordindates	2mh9.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
CKTKDYKTRDVTDDVKSIVRFVQEHSSSQGMRNIKHVGPSGRFTMNMLVDIFLGSKSAKIQSGIFGKGSAYSRHNAERLFKKLILDKILDEDLYINANDQ
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CKTKDYKTRDVTDDVKSIVRFVQEHSSSQGMRNIKHVGPSGRFTMNMLVDIFLGSKSAKIQSGIFGKGSAYSRHNAERLFKKLILDKILDEDLYINANDQ

-------110-------120-------130-------140----
AIAYVMLGNKAQTVLNGNLKVDFMETENSSSVKKQKALVAKVSQ
||||||||||||||||||||||||||||||||||||||||||||
AIAYVMLGNKAQTVLNGNLKVDFMETENSSSVKKQKALVAKVSQ

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	144	0	0	100.0

Content subtype: combined_19530_2mh9.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1104		83.3 (chain: A, length: 144)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	2226 (1)	noe	83.3 (chain: A, length: 144)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	64 (1)	hbond	33.3 (chain: A, length: 144)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	177 (177)	.	72.9 (chain: A, length: 144)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 144, Sequence coverage: 83.3%
- Total number of assignments
  - ¹H chemical shifts: 660
  - ¹³C chemical shifts: 324
  - ¹⁵N chemical shifts: 120
- Completeness of assignments
  - Entity_assemble_ID: A
- 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

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 144, Sequence coverage: 83.3%
- Total number of restraints: 2226
- Weight of restraints: 1.0 (2226)
- Potential type of restraints: square-well-parabolic (2226)
- Range of distance target values: 2.02, 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: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 144, Sequence coverage: 33.3%
  - Total number of restraints: 64
  - Weight of restraints: 1.0 (64)
  - Potential type of restraints: square-well-parabolic (64)
  - Range of distance target values: 1.9, 2.9 (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_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 144, Sequence coverage: 72.9%
- Total number of restraints: 177
- Total number of restraints per polymer type: 177
- Weight of restraints: 1.0 (177)
- Potential type of restraints: square-well-parabolic (177)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A