The basic-helix-loop-helix region of the transcriptional repressor HES-1 is preorganized to bind DNA
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 91.4 % (793 of 868) | 89.1 % (417 of 468) | 93.0 % (304 of 327) | 98.6 % (72 of 73) |
Backbone | 97.8 % (407 of 416) | 96.4 % (133 of 138) | 98.6 % (207 of 210) | 98.5 % (67 of 68) |
Sidechain | 87.2 % (455 of 522) | 86.1 % (284 of 330) | 88.8 % (166 of 187) | 100.0 % (5 of 5) |
Aromatic | 33.3 % (4 of 12) | 33.3 % (2 of 6) | 33.3 % (2 of 6) | |
Methyl | 97.2 % (70 of 72) | 100.0 % (36 of 36) | 94.4 % (34 of 36) |
1. entity
MKPKTASEHR KSSKPIMEKR RRARINESLS QLKTLILDAL KKDSSRHSKL EKADILEMTV KHLRNLQRAQSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 2 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | H2O | natural abundance | 90 % | |
4 | 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 |
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 |
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 |
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 |
Bruker Avance - 600 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 2 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 2 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 2 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 900 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 2 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19614_2mh3.nef |
Input source #2: Coordindates | 2mh3.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
---30--------40--------50--------60--------70--------80--------90----- MKPKTASEHRKSSKPIMEKRRRARINESLSQLKTLILDALKKDSSRHSKLEKADILEMTVKHLRNLQRAQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MKPKTASEHRKSSKPIMEKRRRARINESLSQLKTLILDALKKDSSRHSKLEKADILEMTVKHLRNLQRAQ --------10--------20--------30--------40--------50--------60--------70
---30--------40--------50--------60--------70--------80--------90----- MKPKTASEHRKSSKPIMEKRRRARINESLSQLKTLILDALKKDSSRHSKLEKADILEMTVKHLRNLQRAQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MKPKTASEHRKSSKPIMEKRRRARINESLSQLKTLILDALKKDSSRHSKLEKADILEMTVKHLRNLQRAQ --------10--------20--------30--------40--------50--------60--------70
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 70 | 0 | 0 | 100.0 |
B | B | 70 | 0 | 0 | 100.0 |
Content subtype: combined_19614_2mh3.nef
Assigned chemical shifts
---30--------40--------50--------60--------70--------80--------90----- MKPKTASEHRKSSKPIMEKRRRARINESLSQLKTLILDALKKDSSRHSKLEKADILEMTVKHLRNLQRAQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MKPKTASEHRKSSKPIMEKRRRARINESLSQLKTLILDALKKDSSRHSKLEKADILEMTVKHLRNLQRAQ
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 468 | 414 | 88.5 |
13C chemical shifts | 327 | 302 | 92.4 |
15N chemical shifts | 81 | 71 | 87.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 138 | 132 | 95.7 |
13C chemical shifts | 140 | 138 | 98.6 |
15N chemical shifts | 68 | 66 | 97.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 330 | 282 | 85.5 |
13C chemical shifts | 187 | 164 | 87.7 |
15N chemical shifts | 13 | 5 | 38.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 37 | 94.9 |
13C chemical shifts | 39 | 34 | 87.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 6 | 0 | 0.0 |
13C chemical shifts | 6 | 0 | 0.0 |
Distance restraints
---30--------40--------50--------60--------70--------80--------90----- MKPKTASEHRKSSKPIMEKRRRARINESLSQLKTLILDALKKDSSRHSKLEKADILEMTVKHLRNLQRAQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..........KSSKPIMEKRRRARINESLSQLKTLILDALKKDSSRHSKLEKADILEMTVKHLRNLQRAQ
---30--------40--------50--------60--------70--------80--------90----- MKPKTASEHRKSSKPIMEKRRRARINESLSQLKTLILDALKKDSSRHSKLEKADILEMTVKHLRNLQRAQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..........KSSKPIMEKRRRARINESLSQLKTLILDALKKDSSRHSKLEKADILEMTVKHLRNLQRAQ
---30--------40--------50--------60--------70--------80--------90----- MKPKTASEHRKSSKPIMEKRRRARINESLSQLKTLILDALKKDSSRHSKLEKADILEMTVKHLRNLQRAQ |||||||||||||||||||||||||| ||||||||||||||||| ..............PIMEKRRRARINESLSQLKTLILDAL...........KADILEMTVKHLRNLQR ---30--------40--------50--------60--------70--------80--------90---
---30--------40--------50--------60--------70--------80--------90----- MKPKTASEHRKSSKPIMEKRRRARINESLSQLKTLILDALKKDSSRHSKLEKADILEMTVKHLRNLQRAQ |||||||||||||||||||||||||| ||||||||||||||||| ..............PIMEKRRRARINESLSQLKTLILDAL...........KADILEMTVKHLRNLQR ---30--------40--------50--------60--------70--------80--------90---
Dihedral angle restraints
---30--------40--------50--------60--------70--------80--------90----- MKPKTASEHRKSSKPIMEKRRRARINESLSQLKTLILDALKKDSSRHSKLEKADILEMTVKHLRNLQRAQ ||||||||||||||||||||||||||||| ||||| ||||||||||||||||||||| ............SKPIMEKRRRARINESLSQLKTLILDALK.DSSRH.KLEKADILEMTVKHLRNLQRA ---30--------40--------50--------60--------70--------80--------90----
---30--------40--------50--------60--------70--------80--------90----- MKPKTASEHRKSSKPIMEKRRRARINESLSQLKTLILDALKKDSSRHSKLEKADILEMTVKHLRNLQRAQ ||||||||||||||||||||||||||||| ||||| ||||||||||||||||||||| ............SKPIMEKRRRARINESLSQLKTLILDALK.DSSRH.KLEKADILEMTVKHLRNLQRA ---30--------40--------50--------60--------70--------80--------90----