high calcium androcam
MSELTEEQIA EFKDAFVQFD KEGTGKIATR ELGTLMRTLG QNPTEAELQD LIAEAENNNN GQLNFTEFCG IMAKQMRETD TEEEMREAFK IFDRDGDGFI SPAELRFVMI NLGEKVTDEE IDEMIREADF DGDGMINYEE FVWMISQK
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.7 % (1619 of 1727) | 96.7 % (872 of 902) | 88.5 % (587 of 663) | 98.8 % (160 of 162) |
Backbone | 96.9 % (857 of 884) | 96.4 % (294 of 305) | 96.8 % (419 of 433) | 98.6 % (144 of 146) |
Sidechain | 89.8 % (880 of 980) | 95.1 % (568 of 597) | 80.7 % (296 of 367) | 100.0 % (16 of 16) |
Aromatic | 53.1 % (69 of 130) | 100.0 % (65 of 65) | 4.7 % (3 of 64) | 100.0 % (1 of 1) |
Methyl | 97.1 % (132 of 136) | 95.6 % (65 of 68) | 98.5 % (67 of 68) |
1. androcam
MSELTEEQIA EFKDAFVQFD KEGTGKIATR ELGTLMRTLG QNPTEAELQD LIAEAENNNN GQLNFTEFCG IMAKQMRETD TEEEMREAFK IFDRDGDGFI SPAELRFVMI NLGEKVTDEE IDEMIREADF DGDGMINYEE FVWMISQKSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | androcam | [U-100% 13C; U-100% 15N] | 1.8 mM | |
2 | Calcium chloride | natural abundance | 10 mM | |
3 | D2O | natural abundance | 10 % | |
4 | H2O | natural abundance | 90 % | |
5 | potassium chloride | natural abundance | 10 mM | |
6 | TRIS | natural abundance | 10 mM | |
7 | DTT | natural abundance | 10 mM | |
8 | TSP | natural abundance | 0.1 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl protons | -0.015 ppm | internal | indirect | 0.2514495 |
1H | TSP | methyl protons | -0.015 ppm | internal | direct | 1.0 |
15N | TSP | methyl protons | -0.015 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl protons | -0.015 ppm | internal | indirect | 0.2514495 |
1H | TSP | methyl protons | -0.015 ppm | internal | direct | 1.0 |
15N | TSP | methyl protons | -0.015 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl protons | -0.015 ppm | internal | indirect | 0.2514495 |
1H | TSP | methyl protons | -0.015 ppm | internal | direct | 1.0 |
15N | TSP | methyl protons | -0.015 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl protons | -0.015 ppm | internal | indirect | 0.2514495 |
1H | TSP | methyl protons | -0.015 ppm | internal | direct | 1.0 |
15N | TSP | methyl protons | -0.015 ppm | internal | indirect | 0.1013291 |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | androcam | [U-100% 13C; U-100% 15N] | 1.8 mM | |
2 | Calcium chloride | natural abundance | 10 mM | |
3 | D2O | natural abundance | 10 % | |
4 | H2O | natural abundance | 90 % | |
5 | potassium chloride | natural abundance | 10 mM | |
6 | TRIS | natural abundance | 10 mM | |
7 | DTT | natural abundance | 10 mM | |
8 | TSP | natural abundance | 0.1 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | androcam | [U-100% 13C; U-100% 15N] | 1.8 mM | |
2 | Calcium chloride | natural abundance | 10 mM | |
3 | D2O | natural abundance | 10 % | |
4 | H2O | natural abundance | 90 % | |
5 | potassium chloride | natural abundance | 10 mM | |
6 | TRIS | natural abundance | 10 mM | |
7 | DTT | natural abundance | 10 mM | |
8 | TSP | natural abundance | 0.1 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | androcam | [U-100% 13C; U-100% 15N] | 1.8 mM | |
2 | Calcium chloride | natural abundance | 10 mM | |
3 | D2O | natural abundance | 10 % | |
4 | H2O | natural abundance | 90 % | |
5 | potassium chloride | natural abundance | 10 mM | |
6 | TRIS | natural abundance | 10 mM | |
7 | DTT | natural abundance | 10 mM | |
8 | TSP | natural abundance | 0.1 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | androcam | [U-100% 13C; U-100% 15N] | 1.8 mM | |
2 | Calcium chloride | natural abundance | 10 mM | |
3 | D2O | natural abundance | 10 % | |
4 | H2O | natural abundance | 90 % | |
5 | potassium chloride | natural abundance | 10 mM | |
6 | TRIS | natural abundance | 10 mM | |
7 | DTT | natural abundance | 10 mM | |
8 | TSP | natural abundance | 0.1 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | androcam | [U-100% 13C; U-100% 15N] | 1.8 mM | |
2 | Calcium chloride | natural abundance | 10 mM | |
3 | D2O | natural abundance | 10 % | |
4 | H2O | natural abundance | 90 % | |
5 | potassium chloride | natural abundance | 10 mM | |
6 | TRIS | natural abundance | 10 mM | |
7 | DTT | natural abundance | 10 mM | |
8 | TSP | natural abundance | 0.1 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | androcam | [U-100% 13C; U-100% 15N] | 1.8 mM | |
2 | Calcium chloride | natural abundance | 10 mM | |
3 | D2O | natural abundance | 10 % | |
4 | H2O | natural abundance | 90 % | |
5 | potassium chloride | natural abundance | 10 mM | |
6 | TRIS | natural abundance | 10 mM | |
7 | DTT | natural abundance | 10 mM | |
8 | TSP | natural abundance | 0.1 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | androcam | [U-100% 13C; U-100% 15N] | 1.8 mM | |
2 | Calcium chloride | natural abundance | 10 mM | |
3 | D2O | natural abundance | 10 % | |
4 | H2O | natural abundance | 90 % | |
5 | potassium chloride | natural abundance | 10 mM | |
6 | TRIS | natural abundance | 10 mM | |
7 | DTT | natural abundance | 10 mM | |
8 | TSP | natural abundance | 0.1 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | androcam | [U-100% 13C; U-100% 15N] | 1.8 mM | |
2 | Calcium chloride | natural abundance | 10 mM | |
3 | D2O | natural abundance | 10 % | |
4 | H2O | natural abundance | 90 % | |
5 | potassium chloride | natural abundance | 10 mM | |
6 | TRIS | natural abundance | 10 mM | |
7 | DTT | natural abundance | 10 mM | |
8 | TSP | natural abundance | 0.1 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | androcam | [U-100% 13C; U-100% 15N] | 1.8 mM | |
2 | Calcium chloride | natural abundance | 10 mM | |
3 | D2O | natural abundance | 10 % | |
4 | H2O | natural abundance | 90 % | |
5 | potassium chloride | natural abundance | 10 mM | |
6 | TRIS | natural abundance | 10 mM | |
7 | DTT | natural abundance | 10 mM | |
8 | TSP | natural abundance | 0.1 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | androcam | [U-100% 13C; U-100% 15N] | 1.8 mM | |
2 | Calcium chloride | natural abundance | 10 mM | |
3 | D2O | natural abundance | 10 % | |
4 | H2O | natural abundance | 90 % | |
5 | potassium chloride | natural abundance | 10 mM | |
6 | TRIS | natural abundance | 10 mM | |
7 | DTT | natural abundance | 10 mM | |
8 | TSP | natural abundance | 0.1 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Dihedral angle restraints | combined_17354_2lmv.nef |
Input source #2: Coordindates | 2lmv.cif |
Diamagnetism of the molecular assembly | False (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 (Å) |
---|---|---|---|---|
1:129:ASP:OD2 | 2:2:CA:CA | unknown | unknown | n/a |
1:26:LYS:O | 2:3:CA:CA | unknown | unknown | n/a |
1:93:ASP:OD2 | 2:1:CA:CA | unknown | unknown | n/a |
1:99:PHE:O | 2:1:CA:CA | unknown | unknown | n/a |
1:135:MET:O | 2:2:CA:CA | unknown | unknown | n/a |
1:133:ASP:OD2 | 2:2:CA:CA | unknown | unknown | n/a |
1:97:ASP:OD2 | 2:1:CA:CA | unknown | unknown | n/a |
1:24:THR:OG1 | 2:3:CA:CA | unknown | unknown | n/a |
1:62:GLN:OE1 | 2:3:CA:CA | unknown | unknown | n/a |
1:20:ASP:OD1 | 2:3:CA:CA | unknown | unknown | n/a |
1:140:GLU:OE2 | 2:2:CA:CA | unknown | unknown | n/a |
1:104:GLU:OE2 | 2:1:CA:CA | unknown | unknown | n/a |
1:131:ASP:OD2 | 2:2:CA:CA | unknown | unknown | n/a |
1:95:ASP:OD2 | 2:1:CA:CA | unknown | unknown | n/a |
1:129:ASP:OD1 | 2:2:CA:CA | unknown | unknown | n/a |
1:93:ASP:OD1 | 2:1:CA:CA | unknown | unknown | n/a |
1:133:ASP:OD1 | 2:2:CA:CA | unknown | unknown | n/a |
1:97:ASP:OD1 | 2:1:CA:CA | unknown | unknown | n/a |
1:140:GLU:OE1 | 2:2:CA:CA | unknown | unknown | n/a |
1:131:ASP:OD1 | 2:2:CA:CA | unknown | unknown | n/a |
1:104:GLU:OE1 | 2:1:CA:CA | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | CA | CALCIUM ION | None |
B | 2 | CA | CALCIUM ION | None |
B | 3 | CA | CALCIUM ION | None |
Sequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSELTEEQIAEFKDAFVQFDKEGTGKIATRELGTLMRTLGQNPTEAELQDLIAEAENNNNGQLNFTEFCGIMAKQMRETDTEEEMREAFKIFDRDGDGFI |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MSELTEEQIAEFKDAFVQFDKEGTGKIATRELGTLMRTLGQNPTEAELQDLIAEAENNNNGQLNFTEFCGIMAKQMRETDTEEEMREAFKIFDRDGDGFI -------110-------120-------130-------140-------- SPAELRFVMINLGEKVTDEEIDEMIREADFDGDGMINYEEFVWMISQK |||||||||||||||||||||||||||||||||||||||||||||||| SPAELRFVMINLGEKVTDEEIDEMIREADFDGDGMINYEEFVWMISQK
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 148 | 0 | 0 | 100.0 |
Content subtype: combined_17354_2lmv.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSELTEEQIAEFKDAFVQFDKEGTGKIATRELGTLMRTLGQNPTEAELQDLIAEAENNNNGQLNFTEFCGIMAKQMRETDTEEEMREAFKIFDRDGDGFI ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SELTEEQIAEFKDAFVQFDKEGTGKIATRELGTLMRTLGQNPTEAELQDLIAEAENNNNGQLNFTEFCGIMAKQMRETDTEEEMREAFKIFDRDGDGFI -------110-------120-------130-------140-------- SPAELRFVMINLGEKVTDEEIDEMIREADFDGDGMINYEEFVWMISQK |||||||||||||||||||||||||||||||||||||||||||||||| SPAELRFVMINLGEKVTDEEIDEMIREADFDGDGMINYEEFVWMISQK
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
43 | PRO | N | 109.6 |
102 | PRO | N | 107.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 902 | 886 | 98.2 |
13C chemical shifts | 663 | 587 | 88.5 |
15N chemical shifts | 169 | 160 | 94.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 305 | 301 | 98.7 |
13C chemical shifts | 296 | 287 | 97.0 |
15N chemical shifts | 146 | 144 | 98.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 597 | 585 | 98.0 |
13C chemical shifts | 367 | 300 | 81.7 |
15N chemical shifts | 23 | 16 | 69.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 77 | 76 | 98.7 |
13C chemical shifts | 77 | 76 | 98.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 65 | 65 | 100.0 |
13C chemical shifts | 64 | 0 | 0.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Covalent bonds
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSELTEEQIAEFKDAFVQFDKEGTGKIATRELGTLMRTLGQNPTEAELQDLIAEAENNNNGQLNFTEFCGIMAKQMRETDTEEEMREAFKIFDRDGDGFI ||||||||||||||||||| ||||||||||||||||| |||||||||||||| |||||||||||||||||| ||||||||||||||||||||| ...LTEEQIAEFKDAFVQFDKE..GKIATRELGTLMRTLGQ..TEAELQDLIAEAEN...GQLNFTEFCGIMAKQMRE.DTEEEMREAFKIFDRDGDGFI --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------- SPAELRFVMINLGEKVTDEEIDEMIREADFDGDGMINYEEFVWMISQK |||||||||||| ||||||||||||||||| ||||||||||||||| SPAELRFVMINL..KVTDEEIDEMIREADFD.DGMINYEEFVWMISQ -------110-------120-------130-------140-------