Solution structure of HRDC1 domain of RecQ helicase from Deinococcus radiodurans
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 92.2 % (773 of 838) | 96.1 % (414 of 431) | 86.8 % (289 of 333) | 94.6 % (70 of 74) |
Backbone | 97.3 % (430 of 442) | 98.7 % (152 of 154) | 96.3 % (209 of 217) | 97.2 % (69 of 71) |
Sidechain | 88.6 % (410 of 463) | 94.6 % (262 of 277) | 80.3 % (147 of 183) | 33.3 % (1 of 3) |
Aromatic | 70.0 % (42 of 60) | 80.0 % (24 of 30) | 62.1 % (18 of 29) | 0.0 % (0 of 1) |
Methyl | 94.8 % (91 of 96) | 100.0 % (48 of 48) | 89.6 % (43 of 48) |
1. DNA helicase RecQ
HDAPLFEALR AWRLQKAKEL SLPPYTIFHD ATLKTIAELR PGSHATLGTV SGVGGRKLAA YGDEVLQVVR DSSGGSolvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 50mM phosphate buffer; 90% H2O, 10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HRDC1 | [U-98% 13C; U-98% 15N] | 2 mM | |
2 | phosphate buffer | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 50mM phosphate buffer; 90% H2O, 10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HRDC1 | [U-98% 13C; U-98% 15N] | 2 mM | |
2 | phosphate buffer | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 50mM phosphate buffer; 90% H2O, 10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HRDC1 | [U-98% 13C; U-98% 15N] | 2 mM | |
2 | phosphate buffer | natural abundance | 50 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 50mM phosphate buffer; 90% H2O, 10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HRDC1 | [U-98% 13C; U-98% 15N] | 2 mM | |
2 | phosphate buffer | natural abundance | 50 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19317_2ma1.nef |
Input source #2: Coordindates | 2ma1.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
--540-------550-------560-------570-------580-------590-------600-------610 HDAPLFEALRAWRLQKAKELSLPPYTIFHDATLKTIAELRPGSHATLGTVSGVGGRKLAAYGDEVLQVVRDSSGG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| HDAPLFEALRAWRLQKAKELSLPPYTIFHDATLKTIAELRPGSHATLGTVSGVGGRKLAAYGDEVLQVVRDSSGG --------10--------20--------30--------40--------50--------60--------70-----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 75 | 0 | 0 | 100.0 |
Content subtype: combined_19317_2ma1.nef
Assigned chemical shifts
--540-------550-------560-------570-------580-------590-------600-------610 HDAPLFEALRAWRLQKAKELSLPPYTIFHDATLKTIAELRPGSHATLGTVSGVGGRKLAAYGDEVLQVVRDSSGG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| HDAPLFEALRAWRLQKAKELSLPPYTIFHDATLKTIAELRPGSHATLGTVSGVGGRKLAAYGDEVLQVVRDSSGG
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
548 | ARG | HH11 | 6.717 |
548 | ARG | HH21 | 6.715 |
579 | HIS | HD1 | 7.666 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 431 | 412 | 95.6 |
13C chemical shifts | 333 | 283 | 85.0 |
15N chemical shifts | 79 | 70 | 88.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 154 | 151 | 98.1 |
13C chemical shifts | 150 | 142 | 94.7 |
15N chemical shifts | 71 | 69 | 97.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 277 | 261 | 94.2 |
13C chemical shifts | 183 | 141 | 77.0 |
15N chemical shifts | 8 | 1 | 12.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 48 | 48 | 100.0 |
13C chemical shifts | 48 | 41 | 85.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 30 | 24 | 80.0 |
13C chemical shifts | 29 | 18 | 62.1 |
15N chemical shifts | 1 | 0 | 0.0 |
Distance restraints
--540-------550-------560-------570-------580-------590-------600-------610 HDAPLFEALRAWRLQKAKELSLPPYTIFHDATLKTIAELRPGSHATLGTVSGVGGRKLAAYGDEVLQVVRDSSGG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| HDAPLFEALRAWRLQKAKELSLPPYTIFHDATLKTIAELRPGSHATLGTVSGVGGRKLAAYGDEVLQVVRDSSGG
--540-------550-------560-------570-------580-------590-------600-------610 HDAPLFEALRAWRLQKAKELSLPPYTIFHDATLKTIAELRPGSHATLGTVSGVGGRKLAAYGDEVLQVVRDSSGG |||||||||||||||| || || ||||||||| | | | | ||||||||| ....LFEALRAWRLQKAKEL..PP.TI..DATLKTIAE....S...L........R...A..DEVLQVVRD --540-------550-------560-------570-------580-------590-------600------
Dihedral angle restraints
--540-------550-------560-------570-------580-------590-------600-------610 HDAPLFEALRAWRLQKAKELSLPPYTIFHDATLKTIAELRPGSHATLGTVSGVGGRKLAAYGDEVLQVVRDSSGG ||||||||||||||||||| |||| ||||||||||| ||||||| |||||||||||||||||| ..APLFEALRAWRLQKAKELS.PPYT..HDATLKTIAEL..GSHATLG......GRKLAAYGDEVLQVVRDS --540-------550-------560-------570-------580-------590-------600-------