Embryonic Neural Inducing Factor Churchill is not a DNA-Binding Zinc Finger Protein: Solution Structure Reveals a Solvent-Exposed Beta-Sheet and Zinc Binuclear Cluster
CGDCVEKEYP NRGNTCLENG SFLLNFTGCA VCSKRDFMLI TNKSLKEEDG EEIVTYDHLC KNCHHVIARH EYTFSIMDEF QEYTMLCLLC GKAEDTISIL PDDPRQ
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | na | sing | 2:ZN1:ZN | 1:CYS1:SG |
2 | na | sing | 2:ZN1:ZN | 1:CYS4:SG |
3 | na | sing | 2:ZN1:ZN | 1:CYS29:SG |
4 | na | sing | 2:ZN1:ZN | 1:HIS65:NE2 |
5 | na | sing | 2:ZN1:ZN | 1:CYS29:SG |
6 | na | sing | 2:ZN1:ZN | 1:CYS32:SG |
7 | na | sing | 2:ZN1:ZN | 1:CYS60:SG |
8 | na | sing | 2:ZN1:ZN | 1:CYS63:SG |
9 | na | sing | 2:ZN1:ZN | 1:HIS58:NE2 |
10 | na | sing | 2:ZN1:ZN | 1:HIS70:ND1 |
11 | na | sing | 2:ZN1:ZN | 1:CYS87:SG |
12 | na | sing | 2:ZN1:ZN | 1:CYS90:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 97.4 % (1186 of 1218) | 98.7 % (624 of 632) | 95.4 % (453 of 475) | 98.2 % (109 of 111) |
Backbone | 98.4 % (620 of 630) | 98.1 % (211 of 215) | 98.7 % (308 of 312) | 98.1 % (101 of 103) |
Sidechain | 96.7 % (665 of 688) | 99.0 % (413 of 417) | 92.8 % (244 of 263) | 100.0 % (8 of 8) |
Aromatic | 79.6 % (78 of 98) | 95.9 % (47 of 49) | 63.3 % (31 of 49) | |
Methyl | 100.0 % (100 of 100) | 100.0 % (50 of 50) | 100.0 % (50 of 50) |
1. Churchill
CGDCVEKEYP NRGNTCLENG SFLLNFTGCA VCSKRDFMLI TNKSLKEEDG EEIVTYDHLC KNCHHVIARH EYTFSIMDEF QEYTMLCLLC GKAEDTISIL PDDPRQSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 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 |
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 DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Bruker DMX - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Churchill | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM | |
4 | DTT | natural abundance | 2 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15208_2jox.nef |
Input source #2: Coordindates | 2jox.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 | True (see coodinates for details) |
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)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Ã…) |
---|---|---|---|---|
1:58:HIS:NE2 | 2:3:ZN:ZN | unknown | unknown | n/a |
1:65:HIS:NE2 | 2:1:ZN:ZN | unknown | unknown | n/a |
1:70:HIS:ND1 | 2:3:ZN:ZN | unknown | unknown | n/a |
1:1:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:4:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:29:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:29:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:32:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:60:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:63:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:87:CYS:SG | 2:3:ZN:ZN | unknown | unknown | n/a |
1:90:CYS:SG | 2:3:ZN:ZN | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | ZN | ZINC ION | None |
B | 2 | ZN | ZINC ION | None |
B | 3 | ZN | ZINC ION | None |
Sequence alignments
-------10--------20--------30--------40--------50--------60--------70--------80--------90-------100- CGDCVEKEYPNRGNTCLENGSFLLNFTGCAVCSKRDFMLITNKSLKEEDGEEIVTYDHLCKNCHHVIARHEYTFSIMDEFQEYTMLCLLCGKAEDTISIL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| CGDCVEKEYPNRGNTCLENGSFLLNFTGCAVCSKRDFMLITNKSLKEEDGEEIVTYDHLCKNCHHVIARHEYTFSIMDEFQEYTMLCLLCGKAEDTISIL --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ------ PDDPRQ |||||| PDDPRQ ------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 106 | 0 | 0 | 100.0 |
Content subtype: combined_15208_2jox.nef
Assigned chemical shifts
-------10--------20--------30--------40--------50--------60--------70--------80--------90-------100- CGDCVEKEYPNRGNTCLENGSFLLNFTGCAVCSKRDFMLITNKSLKEEDGEEIVTYDHLCKNCHHVIARHEYTFSIMDEFQEYTMLCLLCGKAEDTISIL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| CGDCVEKEYPNRGNTCLENGSFLLNFTGCAVCSKRDFMLITNKSLKEEDGEEIVTYDHLCKNCHHVIARHEYTFSIMDEFQEYTMLCLLCGKAEDTISIL ------ PDDPRQ |||||| PDDPRQ
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 632 | 628 | 99.4 |
13C chemical shifts | 475 | 454 | 95.6 |
15N chemical shifts | 115 | 113 | 98.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 215 | 213 | 99.1 |
13C chemical shifts | 212 | 211 | 99.5 |
15N chemical shifts | 103 | 101 | 98.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 417 | 415 | 99.5 |
13C chemical shifts | 263 | 243 | 92.4 |
15N chemical shifts | 12 | 12 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 53 | 53 | 100.0 |
13C chemical shifts | 53 | 53 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 49 | 47 | 95.9 |
13C chemical shifts | 49 | 29 | 59.2 |
Covalent bonds
Distance restraints
-------10--------20--------30--------40--------50--------60--------70--------80--------90-------100- CGDCVEKEYPNRGNTCLENGSFLLNFTGCAVCSKRDFMLITNKSLKEEDGEEIVTYDHLCKNCHHVIARHEYTFSIMDEFQEYTMLCLLCGKAEDTISIL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| CGDCVEKEYPNRGNTCLENGSFLLNFTGCAVCSKRDFMLITNKSLKEEDGEEIVTYDHLCKNCHHVIARHEYTFSIMDEFQEYTMLCLLCGKAEDTISIL ------ PDDPRQ |||||| PDDPRQ
Dihedral angle restraints
-------10--------20--------30--------40--------50--------60--------70--------80--------90-------100- CGDCVEKEYPNRGNTCLENGSFLLNFTGCAVCSKRDFMLITNKSLKEEDGEEIVTYDHLCKNCHHVIARHEYTFSIMDEFQEYTMLCLLCGKAEDTISIL ||||| | | |||| |||||| | ||||||||| ||||||| |||||||||||||| || |||||||||| ||||||| || ||||||| ..DCVEK.Y.N....CLEN..FLLNFT.C...SKRDFMLIT.KSLKEED.EEIVTYDHLCKNCH.VI.RHEYTFSIMD.FQEYTML.LL..KAEDTIS -------10--------20--------30--------40--------50--------60--------70--------80--------90--------- ------ PDDPRQ