Mcm10 C-terminal DNA binding domain
GPMGMQSIRE QSCRVVTCKT CKYTHFKPKE TCVSENHDFH WHNGVKRFFK CPCGNRTISL DRLPKKHCST CGLFKWERVG MLKEKTGPKL GG
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | na | sing | 1:CYS18:SG | 2:ZN1:ZN |
2 | na | sing | 1:CYS21:SG | 2:ZN1:ZN |
3 | na | sing | 1:CYS32:SG | 2:ZN1:ZN |
4 | na | sing | 1:HIS37:SG | 2:ZN1:ZN |
5 | na | sing | 1:CYS51:SG | 2:ZN1:ZN |
6 | na | sing | 1:CYS53:SG | 2:ZN1:ZN |
7 | na | sing | 1:CYS68:SG | 2:ZN1:ZN |
8 | na | sing | 1:CYS71:SG | 2:ZN1:ZN |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 85.7 % (947 of 1105) | 96.9 % (568 of 586) | 67.3 % (286 of 425) | 98.9 % (93 of 94) |
Backbone | 82.5 % (447 of 542) | 96.3 % (181 of 188) | 67.4 % (180 of 267) | 98.9 % (86 of 87) |
Sidechain | 90.1 % (582 of 646) | 97.2 % (387 of 398) | 78.0 % (188 of 241) | 100.0 % (7 of 7) |
Aromatic | 49.0 % (50 of 102) | 90.2 % (46 of 51) | 4.1 % (2 of 49) | 100.0 % (2 of 2) |
Methyl | 93.5 % (58 of 62) | 93.5 % (29 of 31) | 93.5 % (29 of 31) |
1. Mcm10
GPMGMQSIRE QSCRVVTCKT CKYTHFKPKE TCVSENHDFH WHNGVKRFFK CPCGNRTISL DRLPKKHCST CGLFKWERVG MLKEKTGPKL GGSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 15N] | 920 uM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | D2O | natural abundance | 5 % | |
5 | H2O | natural abundance | 95 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | entity_1 | [U-100% 15N] | 300 uM | |
7 | sodium phosphate | natural abundance | 25 mM | |
8 | sodium chloride | natural abundance | 100 mM | |
9 | D2O | natural abundance | 5 % | |
10 | H2O | natural abundance | 95 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | entity_1 | [U-100% 13C] | 920 uM | |
12 | sodium phosphate | natural abundance | 25 mM | |
13 | sodium chloride | natural abundance | 100 mM | |
14 | D2O | natural abundance | 5 % | |
15 | H2O | natural abundance | 95 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | entity_1 | [U-100% 13C; U-100% 15N] | 920 uM | |
17 | sodium phosphate | natural abundance | 25 mM | |
18 | sodium chloride | natural abundance | 100 mM | |
19 | D2O | natural abundance | 5 % | |
20 | H2O | natural abundance | 95 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
21 | entity_1 | natural abundance | 920 uM | |
22 | sodium phosphate | natural abundance | 25 mM | |
23 | sodium chloride | natural abundance | 100 mM | |
24 | D2O | natural abundance | 5 % | |
25 | H2O | natural abundance | 95 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.7 ppm | na | indirect | 0.2514495 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 4.7 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.7 ppm | na | indirect | 0.2514495 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 4.7 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.7 ppm | na | indirect | 0.2514495 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 4.7 ppm | na | indirect | 0.1013291 |
Bruker DRX - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | entity_1 | [U-100% 15N] | 300 uM | |
7 | sodium phosphate | natural abundance | 25 mM | |
8 | sodium chloride | natural abundance | 100 mM | |
9 | D2O | natural abundance | 5 % | |
10 | H2O | natural abundance | 95 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | entity_1 | [U-100% 13C] | 920 uM | |
12 | sodium phosphate | natural abundance | 25 mM | |
13 | sodium chloride | natural abundance | 100 mM | |
14 | D2O | natural abundance | 5 % | |
15 | H2O | natural abundance | 95 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
21 | entity_1 | natural abundance | 920 uM | |
22 | sodium phosphate | natural abundance | 25 mM | |
23 | sodium chloride | natural abundance | 100 mM | |
24 | D2O | natural abundance | 5 % | |
25 | H2O | natural abundance | 95 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
21 | entity_1 | natural abundance | 920 uM | |
22 | sodium phosphate | natural abundance | 25 mM | |
23 | sodium chloride | natural abundance | 100 mM | |
24 | D2O | natural abundance | 5 % | |
25 | H2O | natural abundance | 95 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
21 | entity_1 | natural abundance | 920 uM | |
22 | sodium phosphate | natural abundance | 25 mM | |
23 | sodium chloride | natural abundance | 100 mM | |
24 | D2O | natural abundance | 5 % | |
25 | H2O | natural abundance | 95 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | entity_1 | [U-100% 13C; U-100% 15N] | 920 uM | |
17 | sodium phosphate | natural abundance | 25 mM | |
18 | sodium chloride | natural abundance | 100 mM | |
19 | D2O | natural abundance | 5 % | |
20 | H2O | natural abundance | 95 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | entity_1 | [U-100% 13C; U-100% 15N] | 920 uM | |
17 | sodium phosphate | natural abundance | 25 mM | |
18 | sodium chloride | natural abundance | 100 mM | |
19 | D2O | natural abundance | 5 % | |
20 | H2O | natural abundance | 95 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | entity_1 | [U-100% 13C; U-100% 15N] | 920 uM | |
17 | sodium phosphate | natural abundance | 25 mM | |
18 | sodium chloride | natural abundance | 100 mM | |
19 | D2O | natural abundance | 5 % | |
20 | H2O | natural abundance | 95 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | entity_1 | [U-100% 13C; U-100% 15N] | 920 uM | |
17 | sodium phosphate | natural abundance | 25 mM | |
18 | sodium chloride | natural abundance | 100 mM | |
19 | D2O | natural abundance | 5 % | |
20 | H2O | natural abundance | 95 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 15N] | 920 uM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | D2O | natural abundance | 5 % | |
5 | H2O | natural abundance | 95 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | entity_1 | [U-100% 13C; U-100% 15N] | 920 uM | |
17 | sodium phosphate | natural abundance | 25 mM | |
18 | sodium chloride | natural abundance | 100 mM | |
19 | D2O | natural abundance | 5 % | |
20 | H2O | natural abundance | 95 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | entity_1 | [U-100% 13C; U-100% 15N] | 920 uM | |
17 | sodium phosphate | natural abundance | 25 mM | |
18 | sodium chloride | natural abundance | 100 mM | |
19 | D2O | natural abundance | 5 % | |
20 | H2O | natural abundance | 95 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 15N] | 920 uM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | D2O | natural abundance | 5 % | |
5 | H2O | natural abundance | 95 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | entity_1 | [U-100% 13C] | 920 uM | |
12 | sodium phosphate | natural abundance | 25 mM | |
13 | sodium chloride | natural abundance | 100 mM | |
14 | D2O | natural abundance | 5 % | |
15 | H2O | natural abundance | 95 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 15N] | 920 uM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | D2O | natural abundance | 5 % | |
5 | H2O | natural abundance | 95 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16872_2kwq.nef |
Input source #2: Coordindates | 2kwq.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…) |
---|---|---|---|---|
1:37:HIS:ND1 | 2:1:ZN:ZN | unknown | unknown | n/a |
1:51:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:53:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:68:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:71:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:21:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:32:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:18: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
-------760-------770-------780-------790-------800-------810-------820-------830-------840-- GPMGMQSIREQSCRVVTCKTCKYTHFKPKETCVSENHDFHWHNGVKRFFKCPCGNRTISLDRLPKKHCSTCGLFKWERVGMLKEKTGPKLGG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPMGMQSIREQSCRVVTCKTCKYTHFKPKETCVSENHDFHWHNGVKRFFKCPCGNRTISLDRLPKKHCSTCGLFKWERVGMLKEKTGPKLGG --------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 | 92 | 0 | 0 | 100.0 |
Content subtype: combined_16872_2kwq.nef
Assigned chemical shifts
-------760-------770-------780-------790-------800-------810-------820-------830-------840-- GPMGMQSIREQSCRVVTCKTCKYTHFKPKETCVSENHDFHWHNGVKRFFKCPCGNRTISLDRLPKKHCSTCGLFKWERVGMLKEKTGPKLGG ||| .PMG................................................................................................ -------------10--------20--------30--------40--------50--------60--------70--------80--------90----- .................................................................................................... --100-------110-------120-------130-------140-------150-------160-------170-------180-------190----- .................................................................................................... --200-------210-------220-------230-------240-------250-------260-------270-------280-------290----- .................................................................................................... --300-------310-------320-------330-------340-------350-------360-------370-------380-------390----- .................................................................................................... --400-------410-------420-------430-------440-------450-------460-------470-------480-------490----- .................................................................................................... --500-------510-------520-------530-------540-------550-------560-------570-------580-------590----- .................................................................................................... --600-------610-------620-------630-------640-------650-------660-------670-------680-------690----- ...........................................................MQSIREQSCRVVTCKTCKYTHFKPKETCVSENHDFHWHNGV --700-------710-------720-------730-------740-------750-------760-------770-------780-------790----- KRFFKCPCGNRTISLDRLPKKHCSTCGLFKWERVGMLKEKTGPKLGG --800-------810-------820-------830-------840--
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 586 | 577 | 98.5 |
13C chemical shifts | 425 | 282 | 66.4 |
15N chemical shifts | 100 | 98 | 98.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 188 | 185 | 98.4 |
13C chemical shifts | 184 | 91 | 49.5 |
15N chemical shifts | 87 | 86 | 98.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 398 | 392 | 98.5 |
13C chemical shifts | 241 | 191 | 79.3 |
15N chemical shifts | 13 | 12 | 92.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 34 | 34 | 100.0 |
13C chemical shifts | 34 | 34 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 51 | 46 | 90.2 |
13C chemical shifts | 49 | 2 | 4.1 |
15N chemical shifts | 2 | 2 | 100.0 |
Covalent bonds
Distance restraints
-------760-------770-------780-------790-------800-------810-------820-------830-------840-- GPMGMQSIREQSCRVVTCKTCKYTHFKPKETCVSENHDFHWHNGVKRFFKCPCGNRTISLDRLPKKHCSTCGLFKWERVGMLKEKTGPKLGG ||| .PMG................................................................................................ -------------10--------20--------30--------40--------50--------60--------70--------80--------90----- .................................................................................................... --100-------110-------120-------130-------140-------150-------160-------170-------180-------190----- .................................................................................................... --200-------210-------220-------230-------240-------250-------260-------270-------280-------290----- .................................................................................................... --300-------310-------320-------330-------340-------350-------360-------370-------380-------390----- .................................................................................................... --400-------410-------420-------430-------440-------450-------460-------470-------480-------490----- .................................................................................................... --500-------510-------520-------530-------540-------550-------560-------570-------580-------590----- .................................................................................................... --600-------610-------620-------630-------640-------650-------660-------670-------680-------690----- ...........................................................MQSIREQSCRVVTCKTCKYTHFKPKETCVSENHDFHWHNGV --700-------710-------720-------730-------740-------750-------760-------770-------780-------790----- KRFFKCPCGNRTISLDRLPKKHCSTCGLFKWERVGMLKEKTGPKL --800-------810-------820-------830-------840
Dihedral angle restraints