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Found 1 Document (1.033 seconds)

BMRB: 30019

5IAY

NMR structure of UHRF1 Tandem Tudor Domains in a complex with Spacer peptide

Authors

Fang, J., Cheng, J., Wang, J., Zhang, Q., Liu, M., Gong, R., Wang, P., Zhang, X., Feng, Y., Lan, W., Gong, Z., Tang, C., Wong, J., Yang, H., Cao, C., Xu, Y.

Assembly

E3 ubiquitin-protein ligase UHRF1 (E.C.6.3.2.-), Spacer

Entity

1. E3 ubiquitin-protein ligase UHRF1 (polymer, Thiol state: all free), 152 monomers, 17780.66 Da Detail

LYKVNEYVDA RDTNMGAWFE AQVVRVTRKA PSRDEPCSST SRPALEEDVI YHVKYDDYPE NGVVQMNSRD VRARARTIIK WQDLEVGQVV MLNYNPDNPK ERGFWYDAEI SRKRETRTAR ELYANVVLGD DSLNDCRIIF VDEVFKIERP GE

2. Spacer (polymer, Thiol state: all free), 16 monomers, 1601.808 Da Detail

TGKGKWKRKS AGGGPS

Total weight

19382.469 Da

Max. entity weight

17780.66 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 83.9 %, Completeness: 70.3 %, Completeness (bb): 70.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	70.3 % (1382 of 1967)	75.2 % (777 of 1033)	61.3 % (464 of 757)	79.7 % (141 of 177)
Backbone	70.8 % (702 of 992)	80.2 % (272 of 339)	60.9 % (300 of 493)	81.3 % (130 of 160)
Sidechain	70.9 % (803 of 1132)	72.5 % (503 of 694)	68.9 % (290 of 421)	58.8 % (10 of 17)
Aromatic	30.1 % (47 of 156)	39.7 % (31 of 78)	21.6 % (16 of 74)	0.0 % (0 of 4)
Methyl	95.0 % (152 of 160)	96.2 % (77 of 80)	93.8 % (75 of 80)

1. E3 ubiquitin-protein ligase UHRF1

LYKVNEYVDA RDTNMGAWFE AQVVRVTRKA PSRDEPCSST SRPALEEDVI YHVKYDDYPE NGVVQMNSRD VRARARTIIK WQDLEVGQVV MLNYNPDNPK ERGFWYDAEI SRKRETRTAR ELYANVVLGD DSLNDCRIIF VDEVFKIERP GE

2. Spacer

TGKGKWKRKS AGGGPS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

Sample #2

Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-15N] Spacer, TTD, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	Spacer	[U-15N]	1.0 mM
6	TTD	natural abundance	1.0 mM
7	H2O	natural abundance	90 mM
8	D2O	natural abundance	10 mM

Chem. Shift Complete2

Sequence coverage: 20.8 %, Completeness: 41.7 %, Completeness (bb): 42.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	41.7 % (1642 of 3934)	45.8 % (947 of 2066)	34.3 % (520 of 1514)	49.4 % (175 of 354)
Backbone	42.7 % (848 of 1984)	50.7 % (344 of 678)	34.7 % (342 of 986)	50.6 % (162 of 320)
Sidechain	41.2 % (932 of 2264)	43.3 % (601 of 1388)	37.9 % (319 of 842)	35.3 % (12 of 34)
Aromatic	16.7 % (52 of 312)	22.4 % (35 of 156)	10.8 % (16 of 148)	12.5 % (1 of 8)
Methyl	51.9 % (166 of 320)	53.1 % (85 of 160)	50.6 % (81 of 160)

1. E3 ubiquitin-protein ligase UHRF1

LYKVNEYVDA RDTNMGAWFE AQVVRVTRKA PSRDEPCSST SRPALEEDVI YHVKYDDYPE NGVVQMNSRD VRARARTIIK WQDLEVGQVV MLNYNPDNPK ERGFWYDAEI SRKRETRTAR ELYANVVLGD DSLNDCRIIF VDEVFKIERP GE

2. Spacer

TGKGKWKRKS AGGGPS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

Sample #2

Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-15N] Spacer, TTD, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	Spacer	[U-15N]	1.0 mM
6	TTD	natural abundance	1.0 mM
7	H2O	natural abundance	90 mM
8	D2O	natural abundance	10 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 5IAY, Strand ID: A, B Detail

Release date

2016-04-11

Citation

Hemi-methylated DNA opens a closed conformation of UHRF1 to facilitate its histone recognition
Fang, J., Cheng, J., Wang, J., Zhang, Q., Liu, M., Gong, R., Wang, P., Zhang, X., Feng, Y., Lan, W., Gong, Z., Tang, C., Wong, J., Yang, H., Cao, C., Xu, Y.
Nat. Commun. (2016), 7, 11197-11197, PubMed 27045799 , DOI 10.1038/ncomms11197 , Abstract

Related entities 1. E3 ubiquitin-protein ligase UHRF1, : 1 : 6 entities Detail

Related entities 2. Spacer, : 1 : 1 entities Detail

Experiments performed 20 experiments Detail

1 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

2 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

3 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

4 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

5 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

6 w2 x-filter TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

7 HBCBCGCDCEHE

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

8 HBCBCGCDHD

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

9 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

10 3D 1H-13C NOESY aromatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

11 3D 1H-13C NOESY aliphatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

12 MQ-CCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

13 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

14 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

15 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

16 3D 1H-15N TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-15N] Spacer, TTD, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	Spacer	[U-15N]	1.0 mM
6	TTD	natural abundance	1.0 mM
7	H2O	natural abundance	90 mM
8	D2O	natural abundance	10 mM

17 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-15N] Spacer, TTD, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	Spacer	[U-15N]	1.0 mM
6	TTD	natural abundance	1.0 mM
7	H2O	natural abundance	90 mM
8	D2O	natural abundance	10 mM

18 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-15N] Spacer, TTD, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	Spacer	[U-15N]	1.0 mM
6	TTD	natural abundance	1.0 mM
7	H2O	natural abundance	90 mM
8	D2O	natural abundance	10 mM

19 13C-filer HSQC-NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

20 w1,w2 x-filter NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 297.15 K, pH 7.4, Details 1.0 mM [U-13C; U-15N] TTD, 1.2 mM Spacer, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Spacer	natural abundance	1.2 mM
2	TTD	[U-13C; U-15N]	1.0 mM
3	H2O	natural abundance	90 mM
4	D2O	natural abundance	10 mM

NMR combined restraints 8 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_30019_5iay.nef
Input source #2: Coordindates	5iay.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

----140-------150-------160-------170-------180-------190-------200-------210-------220-------230---
LYKVNEYVDARDTNMGAWFEAQVVRVTRKAPSRDEPCSSTSRPALEEDVIYHVKYDDYPENGVVQMNSRDVRARARTIIKWQDLEVGQVVMLNYNPDNPK
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LYKVNEYVDARDTNMGAWFEAQVVRVTRKAPSRDEPCSSTSRPALEEDVIYHVKYDDYPENGVVQMNSRDVRARARTIIKWQDLEVGQVVMLNYNPDNPK
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

----240-------250-------260-------270-------280-----
ERGFWYDAEISRKRETRTARELYANVVLGDDSLNDCRIIFVDEVFKIERPGE
||||||||||||||||||||||||||||||||||||||||||||||||||||
ERGFWYDAEISRKRETRTARELYANVVLGDDSLNDCRIIFVDEVFKIERPGE
-------110-------120-------130-------140-------150--

Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B

------650-------
TGKGKWKRKSAGGGPS
||||||||||||||||
TGKGKWKRKSAGGGPS
--------10------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	152	0	0	100.0
B	B	16	0	0	100.0

Content subtype: combined_30019_5iay.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1304		90.8 (chain: A, length: 152)
2	Assigned chemical shifts	assigned_chemical_shifts_2	OK	82		75.0 (chain: B, length: 16)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	Warning	157 (1)	noe	7.2 (chain: A, length: 152), 75.0 (chain: B, length: 16)
2	Distance restraints	CNS/XPLOR_distance_constraints_5	Warning	4554 (1)	noe	99.3 (chain: A, length: 152)
3	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	24 (1)	hbond	3.3 (chain: A, length: 152), 31.2 (chain: B, length: 16)
4	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	94 (1)	hbond	37.5 (chain: A, length: 152)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_6	OK	184 (184)	.	86.2 (chain: A, length: 152)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 152, Sequence coverage: 90.8%
- Total number of assignments
  - ¹H chemical shifts: 744
  - ¹³C chemical shifts: 421
  - ¹⁵N chemical shifts: 139
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- 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
Saveframe: assigned_chemical_shifts_2
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: B, Chain length: 16, Sequence coverage: 75.0%
- Total number of assignments
  - ¹H chemical shifts: 69
  - ¹⁵N chemical shifts: 13
- Completeness of assignments
  - Entity_assemble_ID: B
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: B

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	937	734	78.3
¹³C chemical shifts	692	421	60.8
¹⁵N chemical shifts	177	139	78.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	303	267	88.1
¹³C chemical shifts	304	141	46.4
¹⁵N chemical shifts	145	129	89.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	634	467	73.7
¹³C chemical shifts	388	280	72.2
¹⁵N chemical shifts	32	10	31.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	81	74	91.4
¹³C chemical shifts	81	79	97.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	72	31	43.1
¹³C chemical shifts	69	16	23.2
¹⁵N chemical shifts	3	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	96	69	71.9
¹⁵N chemical shifts	17	13	76.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	36	29	80.6
¹⁵N chemical shifts	15	12	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	60	40	66.7
¹⁵N chemical shifts	2	1	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	2	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	6	4	66.7
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 152, Sequence coverage: 7.2%
  - Entity_assembly_ID: B, Chain length: 16, Sequence coverage: 75.0%
- Total number of restraints: 151
- Weight of restraints: 1.0 (151)
- Potential type of restraints: square-well-parabolic (151)
- Range of distance target values: 2.35, 4.9 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_5
  - Status: Warning
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 152, Sequence coverage: 99.3%
  - Total number of restraints: 4468
  - Weight of restraints: 1.0 (4468)
  - Potential type of restraints: square-well-parabolic (4468)
  - Range of distance target values: 2.35, 4.4 (Å)
  - Histogram of distance target values
  - Histogram of discrepancy in distance target values
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
      None
  - Distance restraints on contact map
  - Saveframe: CNS/XPLOR_distance_constraints_2
    - Status: Warning
    - Experiment type: hbond
    - Sequence coverage of experimental data
      - Entity_assembly_ID: A, Chain length: 152, Sequence coverage: 3.3%
      - Entity_assembly_ID: B, Chain length: 16, Sequence coverage: 31.2%
    - Total number of restraints: 24
    - Weight of restraints: 1.0 (24)
    - Potential type of restraints: square-well-parabolic (24)
    - Range of distance target values: 2.05, 2.85 (Å)
    - Histogram of distance target values
    - Distance restraints per residue
      - Chain_ID: A
      - Chain_ID: B
    - 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: 152, Sequence coverage: 37.5%
      - Total number of restraints: 94
        Total hydrogen bond restraints: 94
        O...H-x: 3
        O...h-N: 3
        Long range: 88
        O...H-x: 44
        O...h-N: 44
      - Weight of restraints: 1.0 (94)
        Total hydrogen bond restraints: 1.0 (94)
        O...H-x: 1.0 (3)
        O...h-N: 1.0 (3)
        Long range: 1.0 (88)
        O...H-x: 1.0 (44)
        O...h-N: 1.0 (44)
      - Potential type of restraints: square-well-parabolic (94)
        Total hydrogen bond restraints: square-well-parabolic (94)
        O...H-x: square-well-parabolic (3)
        O...h-N: square-well-parabolic (3)
        Long range: square-well-parabolic (88)
        O...H-x: square-well-parabolic (44)
        O...h-N: square-well-parabolic (44)
      - Range of distance target values: 2.05, 2.85 (Å)
      - Histogram of distance target values
      - Distance restraints per residue
        Chain_ID: A
        Chain_ID: B
        None
      - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_6
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 152, Sequence coverage: 86.2%
- Total number of restraints: 184
- Total number of restraints per polymer type: 184
- Weight of restraints: 1.0 (184)
- Potential type of restraints: square-well-parabolic (184)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords LIGASE, Spacer, TTD, UHRF1

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Found 1 Document (1.033 seconds)

BMRB: 30019

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Related entities 1. E3 ubiquitin-protein ligase UHRF1, : 1 : 6 entities Detail

Related entities 2. Spacer, : 1 : 1 entities Detail

Experiments performed 20 experiments Detail

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NMR combined restraints 8 contents Detail