MOZ
EPIPICSFCL GTKEQNREKK PEELISCADC GNSGHPSCLK FSPELTVRVK ALRWQCIECK TCSSCRDQGK NADNMLFCDS CDRGFHMECC DPPLTRMPKG MWICQICRPR
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | na | sing | 1:CYS6:SG | 2:ZN1:ZN |
2 | na | sing | 1:CYS9:SG | 2:ZN1:ZN |
3 | na | sing | 1:CYS38:SG | 2:ZN1:ZN |
4 | na | sing | 1:CYS27:SG | 2:ZN1:ZN |
5 | na | sing | 1:CYS30:SG | 2:ZN1:ZN |
6 | na | sing | 1:CYS56:SG | 2:ZN1:ZN |
7 | na | sing | 1:CYS59:SG | 2:ZN1:ZN |
8 | na | sing | 1:CYS78:SG | 2:ZN1:ZN |
9 | na | sing | 1:CYS81:SG | 2:ZN1:ZN |
10 | na | sing | 1:CYS104:SG | 2:ZN1:ZN |
11 | na | sing | 1:CYS107:SG | 2:ZN1:ZN |
12 | na | sing | 1:CYS62:SG | 2:ZN1:ZN |
13 | na | sing | 1:CYS65:SG | 2:ZN1:ZN |
14 | na | sing | 1:CYS89:SG | 2:ZN1:ZN |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.7 % (1113 of 1269) | 90.4 % (610 of 675) | 82.0 % (396 of 483) | 96.4 % (107 of 111) |
Backbone | 95.0 % (610 of 642) | 94.9 % (206 of 217) | 94.8 % (307 of 324) | 96.0 % (97 of 101) |
Sidechain | 82.5 % (603 of 731) | 88.2 % (404 of 458) | 71.9 % (189 of 263) | 100.0 % (10 of 10) |
Aromatic | 41.7 % (30 of 72) | 77.8 % (28 of 36) | 0.0 % (0 of 34) | 100.0 % (2 of 2) |
Methyl | 86.5 % (64 of 74) | 83.8 % (31 of 37) | 89.2 % (33 of 37) |
1. entity 1
EPIPICSFCL GTKEQNREKK PEELISCADC GNSGHPSCLK FSPELTVRVK ALRWQCIECK TCSSCRDQGK NADNMLFCDS CDRGFHMECC DPPLTRMPKG MWICQICRPRSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HEPES | natural abundance | 50 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | entity_1 | [U-100% 13C; U-100% 15N] | 1 mM | |
9 | D2O | natural abundance | 100 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.74 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.74 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.74 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.74 ppm | internal | direct | 1.0 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HEPES | natural abundance | 50 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | entity_1 | [U-100% 13C; U-100% 15N] | 1 mM | |
9 | D2O | natural abundance | 100 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HEPES | natural abundance | 50 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | entity_1 | [U-100% 13C; U-100% 15N] | 1 mM | |
9 | D2O | natural abundance | 100 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | natural abundance | 50 mM | |
2 | sodium chloride | natural abundance | 100 mM | |
3 | entity_1 | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HEPES | natural abundance | 50 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | entity_1 | [U-100% 13C; U-100% 15N] | 1 mM | |
9 | D2O | natural abundance | 100 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HEPES | natural abundance | 50 mM | |
7 | sodium chloride | natural abundance | 100 mM | |
8 | entity_1 | [U-100% 13C; U-100% 15N] | 1 mM | |
9 | D2O | natural abundance | 100 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18142_2ln0.nef |
Input source #2: Coordindates | 2ln0.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…) |
---|---|---|---|---|
1:88:HIS:ND1 | 2:4:ZN:ZN | unknown | unknown | n/a |
1:37:HIS:ND1 | 2:1:ZN:ZN | unknown | unknown | n/a |
1:61:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:64:CYS:SG | 2:4:ZN:ZN | unknown | unknown | n/a |
1:8:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:80:CYS:SG | 2:3:ZN:ZN | unknown | unknown | n/a |
1:67:CYS:SG | 2:4:ZN:ZN | unknown | unknown | n/a |
1:83:CYS:SG | 2:3:ZN:ZN | unknown | unknown | n/a |
1:91:CYS:SG | 2:4:ZN:ZN | unknown | unknown | n/a |
1:109:CYS:SG | 2:3:ZN:ZN | unknown | unknown | n/a |
1:32:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:11:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:106:CYS:SG | 2:3:ZN:ZN | unknown | unknown | n/a |
1:40:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:58:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:29:CYS:SG | 2:2: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 |
B | 4 | ZN | ZINC ION | None |
Sequence alignments
------210-------220-------230-------240-------250-------260-------270-------280-------290-------300- HMEPIPICSFCLGTKEQNREKKPEELISCADCGNSGHPSCLKFSPELTVRVKALRWQCIECKTCSSCRDQGKNADNMLFCDSCDRGFHMECCDPPLTRMP |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| HMEPIPICSFCLGTKEQNREKKPEELISCADCGNSGHPSCLKFSPELTVRVKALRWQCIECKTCSSCRDQGKNADNMLFCDSCDRGFHMECCDPPLTRMP --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ------310--- KGMWICQICRPR |||||||||||| KGMWICQICRPR -------110--
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 112 | 0 | 0 | 100.0 |
Content subtype: combined_18142_2ln0.nef
Assigned chemical shifts
------210-------220-------230-------240-------250-------260-------270-------280-------290-------300- HMEPIPICSFCLGTKEQNREKKPEELISCADCGNSGHPSCLKFSPELTVRVKALRWQCIECKTCSSCRDQGKNADNMLFCDSCDRGFHMECCDPPLTRMP ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .....PICSFCLGTKEQNREKKPEELISCADCGNSGHPSCLKFSPELTVRVKALRWQCIECKTCSSCRDQGKNADNMLFCDSCDRGFHMECCDPPLTRMP ------310--- KGMWICQICRPR |||||||||||| KGMWICQICRPR
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 688 | 609 | 88.5 |
13C chemical shifts | 493 | 392 | 79.5 |
15N chemical shifts | 121 | 105 | 86.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 221 | 209 | 94.6 |
13C chemical shifts | 224 | 207 | 92.4 |
15N chemical shifts | 103 | 96 | 93.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 467 | 400 | 85.7 |
13C chemical shifts | 269 | 185 | 68.8 |
15N chemical shifts | 18 | 9 | 50.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 42 | 34 | 81.0 |
13C chemical shifts | 42 | 33 | 78.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 38 | 28 | 73.7 |
13C chemical shifts | 36 | 0 | 0.0 |
15N chemical shifts | 2 | 2 | 100.0 |
Covalent bonds
Distance restraints
------210-------220-------230-------240-------250-------260-------270-------280-------290-------300- HMEPIPICSFCLGTKEQNREKKPEELISCADCGNSGHPSCLKFSPELTVRVKALRWQCIECKTCSSCRDQGKNADNMLFCDSCDRGFHMECCDPPLTRMP ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...PIPICSFCLGTKEQNREKKPEELISCADCGNSGHPSCLKFSPELTVRVKALRWQCIECKTCSSCRDQGKNADNMLFCDSCDRGFHMECCDPPLTRMP ------310--- KGMWICQICRPR |||||||||||| KGMWICQICRPR
Dihedral angle restraints
------210-------220-------230-------240-------250-------260-------270-------280-------290-------300- HMEPIPICSFCLGTKEQNREKKPEELISCADCGNSGHPSCLKFSPELTVRVKALRWQCIECKTCSSCRDQGKNADNMLFCDSCDRGFHMECCDPPLTRMP |||||| |||||||||||||||||| ||||||||||||| |||||||||||||||| ||||||||||||||||||||||| ||||| .....PICSFC.GTKEQNREKKPEELISCA.....GHPSCLKFSPELT....ALRWQCIECKTCSSCR.QGKNADNMLFCDSCDRGFHMECC...LTRMP ------210-------220-------230-------240-------250-------260-------270-------280-------290-------300- ------310--- KGMWICQICRPR ||||||||||| KGMWICQICRP ------310--