Solution structure of polymerase-interacting domain of human Rev1 in complex with translesional synthesis polymerase kappa
GHMAPNLAGA VEFNDVKTLL REWITTISDP MEEDILQVVK YCTDLIEEKD LEKLDLVIKY MKRLMQQSVE SVWNMAFDFI LDNVQVVLQQ TYGSTLKVTG SHKKSFFDKK RSERKWGHMA PNLAGAVEFN DVKTLLREWI TTISDPMEED ILQVVKYCTD LIEEKDLEKL DLVIKYMKRL MQQSVESVWN MAFDFILDNV QVVLQQTYGS TLKVTGSHKK SFFDKKRSER KW
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 56.2 % (1604 of 2852) | 55.3 % (822 of 1486) | 56.4 % (627 of 1112) | 61.0 % (155 of 254) |
Backbone | 60.2 % (833 of 1384) | 58.8 % (275 of 468) | 60.6 % (417 of 688) | 61.8 % (141 of 228) |
Sidechain | 53.7 % (909 of 1692) | 53.7 % (547 of 1018) | 53.7 % (348 of 648) | 53.8 % (14 of 26) |
Aromatic | 37.7 % (89 of 236) | 39.8 % (47 of 118) | 34.8 % (39 of 112) | 50.0 % (3 of 6) |
Methyl | 60.1 % (166 of 276) | 60.9 % (84 of 138) | 59.4 % (82 of 138) |
1. Rev1
GHMAPNLAGA VEFNDVKTLL REWITTISDP MEEDILQVVK YCTDLIEEKD LEKLDLVIKY MKRLMQQSVE SVWNMAFDFI LDNVQVVLQQ TYGSTLKVTG SHKKSFFDKK RSERKWGHMA PNLAGAVEFN DVKTLLREWI TTISDPMEED ILQVVKYCTD LIEEKDLEKL DLVIKYMKRL MQQSVESVWN MAFDFILDNV QVVLQQTYGS TLKVTGSHKK SFFDKKRSER KWSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rev1 | [U-99% 13C; U-99% 15N] | 0.8 mM | |
2 | Bis-Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rev1 | [U-99% 13C; U-99% 15N] | 0.8 mM | |
2 | Bis-Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rev1 | [U-99% 13C; U-99% 15N] | 0.8 mM | |
2 | Bis-Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rev1 | [U-99% 13C; U-99% 15N] | 0.8 mM | |
2 | Bis-Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rev1 | [U-99% 13C; U-99% 15N] | 0.8 mM | |
2 | Bis-Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rev1 | [U-99% 13C; U-99% 15N] | 0.8 mM | |
2 | Bis-Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rev1 | [U-99% 13C; U-99% 15N] | 0.8 mM | |
2 | Bis-Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rev1 | [U-99% 13C; U-99% 15N] | 0.8 mM | |
2 | Bis-Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rev1 | [U-99% 13C; U-99% 15N] | 0.8 mM | |
2 | Bis-Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rev1 | [U-99% 13C; U-99% 15N] | 0.8 mM | |
2 | Bis-Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Rev1 | [U-99% 13C; U-99% 15N] | 0.8 mM | |
2 | Bis-Tris | natural abundance | 50 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_18432_2lsi.nef |
Input source #2: Coordindates | 2lsi.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
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
A | 1253 | . | Not matched with CCD | None |
A | 1252 | . | Not matched with CCD | None |
Sequence alignments
---------1260-------1160------1170------1180------1190------1200------1210------1220------1230------ SSF.KFR.EKRKDHKKGHMAPNLAGAVEFNDVKTLLREWITTISDPMEEDILQVVKYCTDLIEEKDLEKLDLVIKYMKRLMQQSVESVWNMAFDFILDNV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ................GHMAPNLAGAVEFNDVKTLLREWITTISDPMEEDILQVVKYCTDLIEEKDLEKLDLVIKYMKRLMQQSVESVWNMAFDFILDNV ------------------------10--------20--------30--------40--------50--------60--------70--------80---- 1240------1250-- QVVLQQTYGSTLKVTW ||||||||||||||| QVVLQQTYGSTLKVT ----90---------
-------570------- GSHKKSFFDKKRSERKW ||||||||||||||||| GSHKKSFFDKKRSERKW --------10-------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 99 | 17 | 0 | 100.0 |
B | B | 17 | 0 | 0 | 100.0 |
Content subtype: combined_18432_2lsi.nef
Assigned chemical shifts
---------1260-------1160------1170------1180------1190------1200------1210------1220------1230------ SSF.KFR.EKRKDHKKGHMAPNLAGAVEFNDVKTLLREWITTISDPMEEDILQVVKYCTDLIEEKDLEKLDLVIKYMKRLMQQSVESVWNMAFDFILDNV ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .................HMAPNLAGAVEFNDVKTLLREWITTISDPMEEDILQVVKYCTDLIEEKDLEKLDLVIKYMKRLMQQSVESVWNMAFDFILDNV ---1140---1150------1160------1170------1180------1190------1200------1210------1220------1230------ 1240------1250-- QVVLQQTYGSTLKVTW ||||||||||||||| QVVLQQTYGSTLKVT..HKKSFFDKKRSERKW 1240------1250------1260--------
Comp_index_ID | Comp_ID |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 736 | 701 | 95.2 |
13C chemical shifts | 551 | 520 | 94.4 |
15N chemical shifts | 129 | 119 | 92.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 229 | 220 | 96.1 |
13C chemical shifts | 228 | 223 | 97.8 |
15N chemical shifts | 112 | 106 | 94.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 507 | 481 | 94.9 |
13C chemical shifts | 323 | 297 | 92.0 |
15N chemical shifts | 17 | 13 | 76.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 74 | 69 | 93.2 |
13C chemical shifts | 74 | 68 | 91.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 59 | 44 | 74.6 |
13C chemical shifts | 56 | 36 | 64.3 |
15N chemical shifts | 3 | 3 | 100.0 |
Distance restraints
---------1260-------1160------1170------1180------1190------1200------1210------1220------1230------ SSF.KFR.EKRKDHKKGHMAPNLAGAVEFNDVKTLLREWITTISDPMEEDILQVVKYCTDLIEEKDLEKLDLVIKYMKRLMQQSVESVWNMAFDFILDNV ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||| .................HMAPNLAGAVEFNDVKTLLREWITTISDPMEEDILQVVKYCTDLIEEKDLEKLDLVIKYMKRLMQQSVE.VWNMAFDFILDNV ---1140---1150------1160------1170------1180------1190------1200------1210------1220------1230------ 1240------1250-- QVVLQQTYGSTLKVTW ||||||||||||||| QVVLQQTYGSTLKVT 1240------1250-
-------570------- GSHKKSFFDKKRSERKW |||||||||||||| ...KKSFFDKKRSERKW
---------1260-------1160------1170------1180------1190------1200------1210------1220------1230------ SSF.KFR.EKRKDHKKGHMAPNLAGAVEFNDVKTLLREWITTISDPMEEDILQVVKYCTDLIEEKDLEKLDLVIKYMKRLMQQSVESVWNMAFDFILDNV |||||||||||||||| |||||||||||||||||| ||||||||||||||||| ||||||||||||||| ...........................EFNDVKTLLREWITTI...MEEDILQVVKYCTDLIEE.DLEKLDLVIKYMKRLMQ...ESVWNMAFDFILDNV ---1140---1150------1160------1170------1180------1190------1200------1210------1220------1230------ 1240------1250-- QVVLQQTYGSTLKVTW |||||||| QVVLQQTY 1240----
-------570------- GSHKKSFFDKKRSERKW ||||||||| .....SFFDKKRSE -------570----
Dihedral angle restraints
---------1260-------1160------1170------1180------1190------1200------1210------1220------1230------ SSF.KFR.EKRKDHKKGHMAPNLAGAVEFNDVKTLLREWITTISDPMEEDILQVVKYCTDLIEEKDLEKLDLVIKYMKRLMQQSVESVWNMAFDFILDNV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||| ................GHMAPNLAGAVEFNDVKTLLREWITTISDPMEEDILQVVKYCTDLIEEKDLEKLDLVIKYMKRLMQQS..SVWNMAFDFILDNV ---1140---1150------1160------1170------1180------1190------1200------1210------1220------1230------ 1240------1250-- QVVLQQTYGSTLKVTW ||||||||||||||| QVVLQQTYGSTLKVT 1240------1250-
-------570------- GSHKKSFFDKKRSERKW ||||||||||||| ....KSFFDKKRSERKW
RDC restraints
---------1260-------1160------1170------1180------1190------1200------1210------1220------1230------ SSF.KFR.EKRKDHKKGHMAPNLAGAVEFNDVKTLLREWITTISDPMEEDILQVVKYCTDLIEEKDLEKLDLVIKYMKRLMQQSVESVWNMAFDFILDNV ||||||| |||||||||||||||| |||||||||||||||||||||||||||||||||||| || | ||||||||||| .....................NLAGAVE.NDVKTLLREWITTISD.MEEDILQVVKYCTDLIEEKDLEKLDLVIKYMKRLMQ..VE.V.NMAFDFILDNV ---1140---1150------1160------1170------1180------1190------1200------1210------1220------1230------ 1240------1250-- QVVLQQTYGSTLKVTW |||||||||| QVVLQQTYGS 1240------
-------570------- GSHKKSFFDKKRSERKW |||||||||| .....SFFDKKRSER -------570-----