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Found 1 Document (3.496 seconds)

BMRB: 30296

5VWE

Solution NMR structure of the HMG domain of human FACT complex subunit SSRP1

Authors

Hu, Q., Botuyan, M.V., Mer, G.

Assembly

FACT complex subunit SSRP1

Entity

1. FACT complex subunit SSRP1 (polymer, Thiol state: not present), 69 monomers, 8032.989 Da Detail

GHMSAYMLWL NASREKIKSD HPGISITDLS KKAGEIWKGM SKEKKEEWDR KAEDARRDYE KAMKEYEGG

Formula weight

8032.989 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.7 %, Completeness: 88.6 %, Completeness (bb): 93.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.6 % (732 of 826)	90.0 % (396 of 440)	85.4 % (268 of 314)	94.4 % (68 of 72)
Backbone	93.7 % (386 of 412)	92.3 % (132 of 143)	94.5 % (190 of 201)	94.1 % (64 of 68)
Sidechain	85.1 % (406 of 477)	88.9 % (264 of 297)	78.4 % (138 of 176)	100.0 % (4 of 4)
Aromatic	45.6 % (31 of 68)	82.4 % (28 of 34)	0.0 % (0 of 31)	100.0 % (3 of 3)
Methyl	100.0 % (42 of 42)	100.0 % (21 of 21)	100.0 % (21 of 21)

1. entity 1

GHMSAYMLWL NASREKIKSD HPGISITDLS KKAGEIWKGM SKEKKEEWDR KAEDARRDYE KAMKEYEGG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9, Details 0.6 mM [U-100% 13C; U-100% 15N] Human SSRP1 HMG Domain, 50 mM Sodium phosphate buffer, 50 mM NaCl, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
1	Human SSRP1 HMG Domain	[U-100% 13C; U-100% 15N]	0.6 mM
2	NaCl	natural abundance	50 mM
3	Sodium phosphate buffer	natural abundance	50 mM

Release date

2017-05-22

Citation

Solution NMR structure of the HMG domain of human FACT complex subunit SSRP1
Hu, Q., Botuyan, M.V., Mer, G.

Related entities 1. FACT complex subunit SSRP1, : 1 : 5 : 334 entities Detail

Interaction partners 1. FACT complex subunit SSRP1, : 56 interactors Detail

More details for 56 interactors identified by 32 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9, Details 0.6 mM [U-100% 13C; U-100% 15N] Human SSRP1 HMG Domain, 50 mM Sodium phosphate buffer, 50 mM NaCl, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
1	Human SSRP1 HMG Domain	[U-100% 13C; U-100% 15N]	0.6 mM
2	NaCl	natural abundance	50 mM
3	Sodium phosphate buffer	natural abundance	50 mM

2 2D 1H-13C HSQC

Instrument

Bruker AvanceIII - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Human SSRP1 HMG Domain	[U-100% 13C; U-100% 15N]	0.6 mM
2	NaCl	natural abundance	50 mM
3	Sodium phosphate buffer	natural abundance	50 mM

3 3D HNCACB

Instrument

Bruker AvanceIII - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Human SSRP1 HMG Domain	[U-100% 13C; U-100% 15N]	0.6 mM
2	NaCl	natural abundance	50 mM
3	Sodium phosphate buffer	natural abundance	50 mM

4 3D CBCA(CO)NH

Instrument

Bruker AvanceIII - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Human SSRP1 HMG Domain	[U-100% 13C; U-100% 15N]	0.6 mM
2	NaCl	natural abundance	50 mM
3	Sodium phosphate buffer	natural abundance	50 mM

5 3D HBHA(CO)NH

Instrument

Bruker AvanceIII - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Human SSRP1 HMG Domain	[U-100% 13C; U-100% 15N]	0.6 mM
2	NaCl	natural abundance	50 mM
3	Sodium phosphate buffer	natural abundance	50 mM

6 3D H(CCO)NH

Instrument

Bruker AvanceIII - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Human SSRP1 HMG Domain	[U-100% 13C; U-100% 15N]	0.6 mM
2	NaCl	natural abundance	50 mM
3	Sodium phosphate buffer	natural abundance	50 mM

7 3D CCCH-TOCSY

Instrument

Bruker AvanceIII - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Human SSRP1 HMG Domain	[U-100% 13C; U-100% 15N]	0.6 mM
2	NaCl	natural abundance	50 mM
3	Sodium phosphate buffer	natural abundance	50 mM

8 3D HNCO

Instrument

Bruker AvanceIII - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Human SSRP1 HMG Domain	[U-100% 13C; U-100% 15N]	0.6 mM
2	NaCl	natural abundance	50 mM
3	Sodium phosphate buffer	natural abundance	50 mM

9 3D HCACO

Instrument

Bruker AvanceIII - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Human SSRP1 HMG Domain	[U-100% 13C; U-100% 15N]	0.6 mM
2	NaCl	natural abundance	50 mM
3	Sodium phosphate buffer	natural abundance	50 mM

10 3D 1H-15N NOESY

Instrument

Bruker AvanceIII - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Human SSRP1 HMG Domain	[U-100% 13C; U-100% 15N]	0.6 mM
2	NaCl	natural abundance	50 mM
3	Sodium phosphate buffer	natural abundance	50 mM

11 3D 1H-13C NOESY

Instrument

Bruker AvanceIII - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Human SSRP1 HMG Domain	[U-100% 13C; U-100% 15N]	0.6 mM
2	NaCl	natural abundance	50 mM
3	Sodium phosphate buffer	natural abundance	50 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_30296_5vwe.nef
Input source #2: Coordindates	5vwe.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

-550-----560-------570-------580-------590-------600-------610-------
GHMSAYMLWLNASREKIKSDHPGISITDLSKKAGEIWKGMSKEKKEEWDRKAEDARRDYEKAMKEYEGG
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GHMSAYMLWLNASREKIKSDHPGISITDLSKKAGEIWKGMSKEKKEEWDRKAEDARRDYEKAMKEYEGG
--------10--------20--------30--------40--------50--------60---------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	69	0	0	100.0

Content subtype: combined_30296_5vwe.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	742		95.7 (chain: A, length: 69)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	1135 (1)	noe	95.7 (chain: A, length: 69)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	116 (116)	.	89.9 (chain: A, length: 69)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 69, Sequence coverage: 95.7%
- Total number of assignments
  - ¹³C chemical shifts: 269
  - ¹H chemical shifts: 405
  - ¹⁵N chemical shifts: 68
- Completeness of assignments
  - Entity_assemble_ID: A
- 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 (%)
¹³C chemical shifts	314	269	85.7
¹H chemical shifts	440	405	92.0
¹⁵N chemical shifts	76	68	89.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	138	131	94.9
¹H chemical shifts	143	134	93.7
¹⁵N chemical shifts	68	64	94.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	176	138	78.4
¹H chemical shifts	297	271	91.2
¹⁵N chemical shifts	8	4	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	25	24	96.0
¹H chemical shifts	25	24	96.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	31	0	0.0
¹H chemical shifts	34	28	82.4
¹⁵N chemical shifts	3	3	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 69, Sequence coverage: 95.7%
- Total number of restraints: 1133
- Weight of restraints: 1.0 (1133)
- Potential type of restraints: square-well-parabolic (1133)
- Range of distance target values: 2.4, 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

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 69, Sequence coverage: 89.9%
- Total number of restraints: 116
- Total number of restraints per polymer type: 116
- Weight of restraints: 1.0 (116)
- Potential type of restraints: square-well-parabolic (116)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords DNA damage response, DNA replication, Hitone chaperone, NMR spectroscopy, SSRP1, Transcription, human FACT complex

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Found 1 Document (3.496 seconds)

BMRB: 30296

Sample

Related entities 1. FACT complex subunit SSRP1, : 1 : 5 : 334 entities Detail

Interaction partners 1. FACT complex subunit SSRP1, : 56 interactors Detail

Experiments performed 11 experiments Detail

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NMR combined restraints 4 contents Detail