Solution structure of the tandem zinc finger domain of fission yeast Stc1
HMGKNDNDAL IMCMRCRKVK GIDSYSKTQW SKTFTFVRGR TVSVSDPKVI CRTCQPKQHD SIWCTACQQT KGINEFSKAQ RHVLDPRCQI CVHSQRN
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | metal coordination | sing | 1:CYS51:SG | 2:ZN1:ZN |
2 | metal coordination | sing | 1:CYS88:SG | 2:ZN1:ZN |
3 | metal coordination | sing | 1:CYS64:SG | 2:ZN1:ZN |
4 | metal coordination | sing | 1:CYS13:SG | 2:ZN1:ZN |
5 | metal coordination | sing | 1:CYS16:SG | 2:ZN1:ZN |
6 | metal coordination | sing | 1:CYS67:SG | 2:ZN1:ZN |
7 | metal coordination | sing | 1:CYS91:SG | 2:ZN1:ZN |
8 | metal coordination | sing | 1:CYS54:SG | 2:ZN1:ZN |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 90.2 % (1034 of 1146) | 90.9 % (550 of 605) | 87.8 % (380 of 433) | 96.3 % (104 of 108) |
Backbone | 96.9 % (558 of 576) | 95.9 % (187 of 195) | 96.9 % (278 of 287) | 98.9 % (93 of 94) |
Sidechain | 85.8 % (569 of 663) | 88.5 % (363 of 410) | 81.6 % (195 of 239) | 78.6 % (11 of 14) |
Aromatic | 39.7 % (31 of 78) | 71.8 % (28 of 39) | 2.7 % (1 of 37) | 100.0 % (2 of 2) |
Methyl | 97.5 % (78 of 80) | 95.0 % (38 of 40) | 100.0 % (40 of 40) |
1. entity 1
HMGKNDNDAL IMCMRCRKVK GIDSYSKTQW SKTFTFVRGR TVSVSDPKVI CRTCQPKQHD SIWCTACQQT KGINEFSKAQ RHVLDPRCQI CVHSQRNSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 200 mM | |
2 | Bis-Tris | natural abundance | 20 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
4 | ZINC ION | natural abundance | 1.6 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.773 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.773 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.773 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.773 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 200 mM | |
2 | Bis-Tris | natural abundance | 20 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
4 | ZINC ION | natural abundance | 1.6 mM |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 200 mM | |
2 | Bis-Tris | natural abundance | 20 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
4 | ZINC ION | natural abundance | 1.6 mM |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 200 mM | |
2 | Bis-Tris | natural abundance | 20 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
4 | ZINC ION | natural abundance | 1.6 mM |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 200 mM | |
2 | Bis-Tris | natural abundance | 20 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
4 | ZINC ION | natural abundance | 1.6 mM |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 200 mM | |
2 | Bis-Tris | natural abundance | 20 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
4 | ZINC ION | natural abundance | 1.6 mM |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 200 mM | |
2 | Bis-Tris | natural abundance | 20 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
4 | ZINC ION | natural abundance | 1.6 mM |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 200 mM | |
2 | Bis-Tris | natural abundance | 20 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
4 | ZINC ION | natural abundance | 1.6 mM |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 200 mM | |
2 | Bis-Tris | natural abundance | 20 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
4 | ZINC ION | natural abundance | 1.6 mM |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 200 mM | |
2 | Bis-Tris | natural abundance | 20 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
4 | ZINC ION | natural abundance | 1.6 mM |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 200 mM | |
2 | Bis-Tris | natural abundance | 20 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
4 | ZINC ION | natural abundance | 1.6 mM |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 200 mM | |
2 | Bis-Tris | natural abundance | 20 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
4 | ZINC ION | natural abundance | 1.6 mM |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 200 mM | |
2 | Bis-Tris | natural abundance | 20 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
4 | ZINC ION | natural abundance | 1.6 mM |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 200 mM | |
2 | Bis-Tris | natural abundance | 20 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
4 | ZINC ION | natural abundance | 1.6 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_18546_2luy.nef |
Input source #2: Coordindates | 2luy.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…) |
---|---|---|---|---|
1:51:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:88:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:64:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:13:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:16:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:67:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:91:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:54:CYS:SG | 2:1: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 |
Sequence alignments
30-------40--------50--------60--------70--------80--------90-------100-------110-------120------ HMGKNDNDALIMCMRCRKVKGIDSYSKTQWSKTFTFVRGRTVSVSDPKVICRTCQPKQHDSIWCTACQQTKGINEFSKAQRHVLDPRCQICVHSQRN ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| HMGKNDNDALIMCMRCRKVKGIDSYSKTQWSKTFTFVRGRTVSVSDPKVICRTCQPKQHDSIWCTACQQTKGINEFSKAQRHVLDPRCQICVHSQRN --------10--------20--------30--------40--------50--------60--------70--------80--------90-------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 97 | 0 | 0 | 100.0 |
Content subtype: combined_18546_2luy.nef
Assigned chemical shifts
30-------40--------50--------60--------70--------80--------90-------100-------110-------120------ HMGKNDNDALIMCMRCRKVKGIDSYSKTQWSKTFTFVRGRTVSVSDPKVICRTCQPKQHDSIWCTACQQTKGINEFSKAQRHVLDPRCQICVHSQRN |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .MGKNDNDALIMCMRCRKVKGIDSYSKTQWSKTFTFVRGRTVSVSDPKVICRTCQPKQHDSIWCTACQQTKGINEFSKAQRHVLDPRCQICVHSQRN
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 605 | 565 | 93.4 |
13C chemical shifts | 433 | 385 | 88.9 |
15N chemical shifts | 116 | 105 | 90.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 195 | 192 | 98.5 |
13C chemical shifts | 194 | 189 | 97.4 |
15N chemical shifts | 94 | 92 | 97.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 410 | 373 | 91.0 |
13C chemical shifts | 239 | 196 | 82.0 |
15N chemical shifts | 22 | 13 | 59.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 43 | 42 | 97.7 |
13C chemical shifts | 43 | 42 | 97.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 27 | 69.2 |
13C chemical shifts | 37 | 0 | 0.0 |
15N chemical shifts | 2 | 2 | 100.0 |
Covalent bonds
Distance restraints
30-------40--------50--------60--------70--------80--------90-------100-------110-------120------ HMGKNDNDALIMCMRCRKVKGIDSYSKTQWSKTFTFVRGRTVSVSDPKVICRTCQPKQHDSIWCTACQQTKGINEFSKAQRHVLDPRCQICVHSQRN |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .MGKNDNDALIMCMRCRKVKGIDSYSKTQWSKTFTFVRGRTVSVSDPKVICRTCQPKQHDSIWCTACQQTKGINEFSKAQRHVLDPRCQICVHSQRN
Dihedral angle restraints
30-------40--------50--------60--------70--------80--------90-------100-------110-------120------ HMGKNDNDALIMCMRCRKVKGIDSYSKTQWSKTFTFVRGRTVSVSDPKVICRTCQPKQHDSIWCTACQQTKGINEFSKAQRHVLDPRCQICVHSQRN |||||||||||||||||||||||||||||||||||||||||| |||||||| ||||||||||||||||||||||||||||||||||||| ....NDNDALIMCMRCRKVKGIDSYSKTQWSKTFTFVRGRTVSVSD.KVICRTCQ....DSIWCTACQQTKGINEFSKAQRHVLDPRCQICVHSQR 30-------40--------50--------60--------70--------80--------90-------100-------110-------120-----
RDC restraints
30-------40--------50--------60--------70--------80--------90-------100-------110-------120------ HMGKNDNDALIMCMRCRKVKGIDSYSKTQWSKTFTFVRGRTVSVSDPKVICRTCQPKQHDSIWCTACQQTKGINEFSKAQRHVLDPRCQICVHSQRN ||||||| |||| |||| |||||| | ||| || ||| | |||||||||||| | ||| | ||| |||| .........LIMCMRC.KVKG.DSYS...WSKTFT.....T.SVS..KV.CRT.Q.....SIWCTACQQTKG.N.FSK......D.RCQ.CVHS 30-------40--------50--------60--------70--------80--------90-------100-------110-------120---