NMR structure of UHRF1 Tandem Tudor Domains in a complex with Spacer peptide
LYKVNEYVDA RDTNMGAWFE AQVVRVTRKA PSRDEPCSST SRPALEEDVI YHVKYDDYPE NGVVQMNSRD VRARARTIIK WQDLEVGQVV MLNYNPDNPK ERGFWYDAEI SRKRETRTAR ELYANVVLGD DSLNDCRIIF VDEVFKIERP GE
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 GE2. Spacer
TGKGKWKRKS AGGGPSSolvent 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 | Type | 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 |
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 | Type | 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 |
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 GE2. Spacer
TGKGKWKRKS AGGGPSSolvent 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 | Type | 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 |
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
Varian INOVA - 600 MHz
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 | Type | 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 |
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
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
----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--
------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
Assigned chemical shifts
----140-------150-------160-------170-------180-------190-------200-------210-------220-------230--- LYKVNEYVDARDTNMGAWFEAQVVRVTRKAPSRDEPCSSTSRPALEEDVIYHVKYDDYPENGVVQMNSRDVRARARTIIKWQDLEVGQVVMLNYNPDNPK ||||||||||||| ||| ||||||||||| |||| |||||| |||||||||||||| |||||||||||||||||||||||||||||||||||| || | LYKVNEYVDARDT.MGA..EAQVVRVTRKA.SRDE.CSSTSR.ALEEDVIYHVKYDD..ENGVVQMNSRDVRARARTIIKWQDLEVGQVVMLNYN.DN.K ----240-------250-------260-------270-------280----- ERGFWYDAEISRKRETRTARELYANVVLGDDSLNDCRIIFVDEVFKIERPGE ||| ||||||||||||||||||||||||||||||||||| |||| |||| || ERG.WYDAEISRKRETRTARELYANVVLGDDSLNDCRII.VDEV.KIER.GE
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 |
------650------- TGKGKWKRKSAGGGPS ||||||||| ||| .GKGKWKRKS.GGG ------650-----
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
----140-------150-------160-------170-------180-------190-------200-------210-------220-------230--- LYKVNEYVDARDTNMGAWFEAQVVRVTRKAPSRDEPCSSTSRPALEEDVIYHVKYDDYPENGVVQMNSRDVRARARTIIKWQDLEVGQVVMLNYNPDNPK ||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| LYKVNEYVDARDTNMGAWF.AQVVRVTRKAPSRDEPCSSTSRPALEEDVIYHVKYDDYPENGVVQMNSRDVRARARTIIKWQDLEVGQVVMLNYNPDNPK ----240-------250-------260-------270-------280----- ERGFWYDAEISRKRETRTARELYANVVLGDDSLNDCRIIFVDEVFKIERPGE |||||||||||||||||||||||||||||||||||||||||||||||||||| ERGFWYDAEISRKRETRTARELYANVVLGDDSLNDCRIIFVDEVFKIERPGE
Dihedral angle restraints
----140-------150-------160-------170-------180-------190-------200-------210-------220-------230--- LYKVNEYVDARDTNMGAWFEAQVVRVTRKAPSRDEPCSSTSRPALEEDVIYHVKYDDYPENGVVQMNSRDVRARARTIIKWQDLEVGQVVMLNYNPDNPK ||| |||||||||||||||||||||||||| ||| |||| |||||||||| |||||||||| |||||||||||||||||||||||||||| .YKV..YVDARDTNMGAWFEAQVVRVTRKAPS.DEP....SRPA...DVIYHVKYDD....GVVQMNSRDV.ARARTIIKWQDLEVGQVVMLNYNPDNPK ----140-------150-------160-------170-------180-------190-------200-------210-------220-------230--- ----240-------250-------260-------270-------280----- ERGFWYDAEISRKRETRTARELYANVVLGDDSLNDCRIIFVDEVFKIERPGE |||||||||||||||||||||||||||||||||| |||| ||||||||| ERGFWYDAEISRKRETRTARELYANVVLGDDSLN.CRII..DEVFKIERP ----240-------250-------260-------270-------280---