Solution structure of the complex between E.coli NusA-AR2 and RNAP-aCTD
GPDLRDVRQP EVKEEKPEFD PILLRPVDDL ELTVRSANCL KAEAIHYIGD LVQRTEVELL KTPNLGKKSL TEIKDVLASR GLSLGMRLEN WPPASIADE
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 86.3 % (1681 of 1947) | 93.7 % (949 of 1013) | 73.8 % (561 of 760) | 98.3 % (171 of 174) |
Backbone | 82.5 % (840 of 1018) | 95.4 % (333 of 349) | 68.6 % (347 of 506) | 98.2 % (160 of 163) |
Sidechain | 91.5 % (996 of 1089) | 92.8 % (616 of 664) | 89.1 % (369 of 414) | 100.0 % (11 of 11) |
Aromatic | 68.2 % (45 of 66) | 81.8 % (27 of 33) | 51.6 % (16 of 31) | 100.0 % (2 of 2) |
Methyl | 95.9 % (213 of 222) | 95.5 % (106 of 111) | 96.4 % (107 of 111) |
1. actd
GPDLRDVRQP EVKEEKPEFD PILLRPVDDL ELTVRSANCL KAEAIHYIGD LVQRTEVELL KTPNLGKKSL TEIKDVLASR GLSLGMRLEN WPPASIADE2. ar2
GPSLGDNKPA DDLLNLEGVD RDLAFKLAAR GVCTLEDLAE QGIDDLADIE GLTDEKAGAL IMAARNICWF GDEASolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | actd | [U-98% 13C; U-98% 15N] | 0.7 mM | |
2 | ar2 | natural abundance | 2.1 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | beta-mercaptoethanol | natural abundance | 1 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | ar2 | [U-98% 13C; U-98% 15N] | 0.7 mM | |
7 | actd | natural abundance | 2.1 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | beta-mercaptoethanol | natural abundance | 1 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | actd | [U-98% 13C; U-98% 15N] | 0.7 mM | |
2 | ar2 | natural abundance | 2.1 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | beta-mercaptoethanol | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | actd | [U-98% 13C; U-98% 15N] | 0.7 mM | |
2 | ar2 | natural abundance | 2.1 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | beta-mercaptoethanol | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | actd | [U-98% 13C; U-98% 15N] | 0.7 mM | |
2 | ar2 | natural abundance | 2.1 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | beta-mercaptoethanol | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | actd | [U-98% 13C; U-98% 15N] | 0.7 mM | |
2 | ar2 | natural abundance | 2.1 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | beta-mercaptoethanol | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | actd | [U-98% 13C; U-98% 15N] | 0.7 mM | |
2 | ar2 | natural abundance | 2.1 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | beta-mercaptoethanol | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | actd | [U-98% 13C; U-98% 15N] | 0.7 mM | |
2 | ar2 | natural abundance | 2.1 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | beta-mercaptoethanol | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | actd | [U-98% 13C; U-98% 15N] | 0.7 mM | |
2 | ar2 | natural abundance | 2.1 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | beta-mercaptoethanol | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | actd | [U-98% 13C; U-98% 15N] | 0.7 mM | |
2 | ar2 | natural abundance | 2.1 mM | |
3 | potassium phosphate | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | beta-mercaptoethanol | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | ar2 | [U-98% 13C; U-98% 15N] | 0.7 mM | |
7 | actd | natural abundance | 2.1 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | beta-mercaptoethanol | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | ar2 | [U-98% 13C; U-98% 15N] | 0.7 mM | |
7 | actd | natural abundance | 2.1 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | beta-mercaptoethanol | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | ar2 | [U-98% 13C; U-98% 15N] | 0.7 mM | |
7 | actd | natural abundance | 2.1 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | beta-mercaptoethanol | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | ar2 | [U-98% 13C; U-98% 15N] | 0.7 mM | |
7 | actd | natural abundance | 2.1 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | beta-mercaptoethanol | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | ar2 | [U-98% 13C; U-98% 15N] | 0.7 mM | |
7 | actd | natural abundance | 2.1 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | beta-mercaptoethanol | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | ar2 | [U-98% 13C; U-98% 15N] | 0.7 mM | |
7 | actd | natural abundance | 2.1 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | beta-mercaptoethanol | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | ar2 | [U-98% 13C; U-98% 15N] | 0.7 mM | |
7 | actd | natural abundance | 2.1 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | beta-mercaptoethanol | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | ar2 | [U-98% 13C; U-98% 15N] | 0.7 mM | |
7 | actd | natural abundance | 2.1 mM | |
8 | potassium phosphate | natural abundance | 10 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | beta-mercaptoethanol | natural abundance | 1 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15614_2jzb.nef |
Input source #2: Coordindates | 2jzb.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
-------240-------250-------260-------270-------280-------290-------300-------310-------320--------- GPDLRDVRQPEVKEEKPEFDPILLRPVDDLELTVRSANCLKAEAIHYIGDLVQRTEVELLKTPNLGKKSLTEIKDVLASRGLSLGMRLENWPPASIADE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPDLRDVRQPEVKEEKPEFDPILLRPVDDLELTVRSANCLKAEAIHYIGDLVQRTEVELLKTPNLGKKSLTEIKDVLASRGLSLGMRLENWPPASIADE --------10--------20--------30--------40--------50--------60--------70--------80--------90---------
------430-------440-------450-------460-------470-------480-------490----- GPSLGDNKPADDLLNLEGVDRDLAFKLAARGVCTLEDLAEQGIDDLADIEGLTDEKAGALIMAARNICWFGDEA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPSLGDNKPADDLLNLEGVDRDLAFKLAARGVCTLEDLAEQGIDDLADIEGLTDEKAGALIMAARNICWFGDEA --------10--------20--------30--------40--------50--------60--------70----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 99 | 0 | 0 | 100.0 |
B | B | 74 | 0 | 0 | 100.0 |
Content subtype: combined_15614_2jzb.nef
Assigned chemical shifts
-------240-------250-------260-------270-------280-------290-------300-------310-------320--------- GPDLRDVRQPEVKEEKPEFDPILLRPVDDLELTVRSANCLKAEAIHYIGDLVQRTEVELLKTPNLGKKSLTEIKDVLASRGLSLGMRLENWPPASIADE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPDLRDVRQPEVKEEKPEFDPILLRPVDDLELTVRSANCLKAEAIHYIGDLVQRTEVELLKTPNLGKKSLTEIKDVLASRGLSLGMRLENWPPASIADE
------430-------440-------450-------460-------470-------480-------490----- GPSLGDNKPADDLLNLEGVDRDLAFKLAARGVCTLEDLAEQGIDDLADIEGLTDEKAGALIMAARNICWFGDEA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....GDNKPADDLLNLEGVDRDLAFKLAARGVCTLEDLAEQGIDDLADIEGLTDEKAGALIMAARNICWFGDEA
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
321 | TRP | CD2 | 126.66 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 609 | 585 | 96.1 |
13C chemical shifts | 452 | 332 | 73.5 |
15N chemical shifts | 104 | 96 | 92.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 195 | 194 | 99.5 |
13C chemical shifts | 198 | 98 | 49.5 |
15N chemical shifts | 91 | 90 | 98.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 414 | 391 | 94.4 |
13C chemical shifts | 254 | 234 | 92.1 |
15N chemical shifts | 13 | 6 | 46.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 65 | 65 | 100.0 |
13C chemical shifts | 65 | 65 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 17 | 12 | 70.6 |
13C chemical shifts | 16 | 9 | 56.2 |
15N chemical shifts | 1 | 1 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 404 | 369 | 91.3 |
13C chemical shifts | 308 | 207 | 67.2 |
15N chemical shifts | 80 | 74 | 92.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 154 | 145 | 94.2 |
13C chemical shifts | 148 | 69 | 46.6 |
15N chemical shifts | 72 | 69 | 95.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 250 | 224 | 89.6 |
13C chemical shifts | 160 | 138 | 86.3 |
15N chemical shifts | 8 | 5 | 62.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 48 | 46 | 95.8 |
13C chemical shifts | 48 | 46 | 95.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 16 | 12 | 75.0 |
13C chemical shifts | 15 | 7 | 46.7 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
------430-------440-------450-------460-------470-------480-------490----- GPSLGDNKPADDLLNLEGVDRDLAFKLAARGVCTLEDLAEQGIDDLADIEGLTDEKAGALIMAARNICWFGDEA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....GDNKPADDLLNLEGVDRDLAFKLAARGVCTLEDLAEQGIDDLADIEGLTDEKAGALIMAARNICWFGDEA
-------240-------250-------260-------270-------280-------290-------300-------310-------320--------- GPDLRDVRQPEVKEEKPEFDPILLRPVDDLELTVRSANCLKAEAIHYIGDLVQRTEVELLKTPNLGKKSLTEIKDVLASRGLSLGMRLENWPPASIADE || ||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GP...DVRQPEVKE.KPEFDPILLRPVDDLELTVRSANCLKAEAIHYIGDLVQRTEVELLKTPNLGKKSLTEIKDVLASRGLSLGMRLENWPPASIADE
------430-------440-------450-------460-------470-------480-------490----- GPSLGDNKPADDLLNLEGVDRDLAFKLAARGVCTLEDLAEQGIDDLADIEGLTDEKAGALIMAARNICWFGDEA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....GDNKPADDLLNLEGVDRDLAFKLAARGVCTLEDLAEQGIDDLADIEGLTDEKAGALIMAARNICWFGDEA
-------240-------250-------260-------270-------280-------290-------300-------310-------320--------- GPDLRDVRQPEVKEEKPEFDPILLRPVDDLELTVRSANCLKAEAIHYIGDLVQRTEVELLKTPNLGKKSLTEIKDVLASRGLSLGMRLENWPPASIADE || ||| | | ||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||| ||||||||| |||||| ...LR..RQP.V.....E.DPILLRPVDDL.LTVRSANCLKAEAIHYIGDLVQRTEVELLKTPNLGKKSLTEIKDVLAS..LSLGMRLEN.PPASIA -------240-------250-------260-------270-------280-------290-------300-------310-------320-------
Dihedral angle restraints