Anaplastic lymphoma kinase (ALK) extracellular ligand binding region 673-1025
QTPIFDPTVH WLFTTCGASG PHGPTQAQCN NAYQNSNLSV EVGSEGPLKG IQIWKVPATD TYSISGYGAA GGKGGKNTMM RSHGVSVLGI FNLEKDDMLY ILVGQQGEDA CPSTNQLIQK VCIGENNVIE EEIRVNRSVH EWAGGGGGGG GATYVFKMKD GVPVPLIIAA GGGGRAYGAK TDTFHPERLE NNSSVLGLNG NSGAAGGGGG WNDNTSLLWA GKSLQEGATG GHSCPQAMKK WGWETRGGFG GGGGGCSSGG GGGGYIGGNA ASNNDPEMDG EDGVSFISPL GILYTPALKV MEGHGEVNIK HYLNCSHCEV DECHMDPESH KVICFCDHGT VLAEDGVSCI VSP
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS16:SG | 1:CYS29:SG |
2 | disulfide | sing | 1:CYS111:SG | 1:CYS122:SG |
3 | disulfide | sing | 1:CYS234:SG | 1:CYS256:SG |
4 | disulfide | sing | 1:CYS315:SG | 1:CYS323:SG |
5 | disulfide | sing | 1:CYS318:SG | 1:CYS334:SG |
6 | disulfide | sing | 1:CYS336:SG | 1:CYS349:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 56.9 % (2132 of 3745) | 34.4 % (662 of 1922) | 78.7 % (1134 of 1441) | 88.0 % (336 of 382) |
Backbone | 79.6 % (1660 of 2086) | 50.3 % (381 of 757) | 96.2 % (954 of 992) | 96.4 % (325 of 337) |
Sidechain | 38.3 % (744 of 1945) | 24.1 % (281 of 1165) | 61.5 % (452 of 735) | 24.4 % (11 of 45) |
Aromatic | 28.9 % (82 of 284) | 28.9 % (41 of 142) | 25.2 % (34 of 135) | 100.0 % (7 of 7) |
Methyl | 89.4 % (288 of 322) | 89.4 % (144 of 161) | 89.4 % (144 of 161) |
1. entity 1
QTPIFDPTVH WLFTTCGASG PHGPTQAQCN NAYQNSNLSV EVGSEGPLKG IQIWKVPATD TYSISGYGAA GGKGGKNTMM RSHGVSVLGI FNLEKDDMLY ILVGQQGEDA CPSTNQLIQK VCIGENNVIE EEIRVNRSVH EWAGGGGGGG GATYVFKMKD GVPVPLIIAA GGGGRAYGAK TDTFHPERLE NNSSVLGLNG NSGAAGGGGG WNDNTSLLWA GKSLQEGATG GHSCPQAMKK WGWETRGGFG GGGGGCSSGG GGGGYIGGNA ASNNDPEMDG EDGVSFISPL GILYTPALKV MEGHGEVNIK HYLNCSHCEV DECHMDPESH KVICFCDHGT VLAEDGVSCI VSPSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 300 uM [U-100% 13C; U-100% 15N; U-100% 2H] Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-100% 13C; U-100% 15N; U-100% 2H] | 300 uM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.1 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 400 uM U-2H,15N-1H13C_AILMTV_1H,13C-FY (Ce1,2) Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)] | 400 uM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 150 mM | |
8 | sodium azide | natural abundance | 0.1 % |
Bruker AVANCE NEO - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 300 uM [U-100% 13C; U-100% 15N; U-100% 2H] Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-100% 13C; U-100% 15N; U-100% 2H] | 300 uM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.1 % |
Bruker AVANCE NEO - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 400 uM U-2H,15N-1H13C_AILMTV_1H,13C-FY (Ce1,2) Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)] | 400 uM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 150 mM | |
8 | sodium azide | natural abundance | 0.1 % |
Bruker AVANCE NEO - na MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 400 uM U-2H,15N-1H13C_AILMTV_1H,13C-FY (Ce1,2) Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)] | 400 uM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 150 mM | |
8 | sodium azide | natural abundance | 0.1 % |
Bruker AVANCE NEO - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 300 uM [U-100% 13C; U-100% 15N; U-100% 2H] Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-100% 13C; U-100% 15N; U-100% 2H] | 300 uM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.1 % |
Bruker AVANCE NEO - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 400 uM U-2H,15N-1H13C_AILMTV_1H,13C-FY (Ce1,2) Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)] | 400 uM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 150 mM | |
8 | sodium azide | natural abundance | 0.1 % |
Bruker AVANCE NEO - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 400 uM U-2H,15N-1H13C_AILMTV_1H,13C-FY (Ce1,2) Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)] | 400 uM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 150 mM | |
8 | sodium azide | natural abundance | 0.1 % |
Bruker AVANCE NEO - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 400 uM U-2H,15N-1H13C_AILMTV_1H,13C-FY (Ce1,2) Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)] | 400 uM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 150 mM | |
8 | sodium azide | natural abundance | 0.1 % |
Bruker AVANCE NEO - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 400 uM U-2H,15N-1H13C_AILMTV_1H,13C-FY (Ce1,2) Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)] | 400 uM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 150 mM | |
8 | sodium azide | natural abundance | 0.1 % |
Bruker AVANCE NEO - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 400 uM U-2H,15N-1H13C_AILMTV_1H,13C-FY (Ce1,2) Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)] | 400 uM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 150 mM | |
8 | sodium azide | natural abundance | 0.1 % |
Bruker AVANCE NEO - na MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 400 uM U-2H,15N-1H13C_AILMTV_1H,13C-FY (Ce1,2) Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)] | 400 uM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 150 mM | |
8 | sodium azide | natural abundance | 0.1 % |
Bruker AVANCE NEO - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 300 uM [U-100% 13C; U-100% 15N; U-100% 2H] Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-100% 13C; U-100% 15N; U-100% 2H] | 300 uM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.1 % |
Bruker AVANCE NEO - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 300 uM [U-100% 13C; U-100% 15N; U-100% 2H] Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-100% 13C; U-100% 15N; U-100% 2H] | 300 uM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.1 % |
Bruker AVANCE NEO - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 300 uM [U-100% 13C; U-100% 15N; U-100% 2H] Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-100% 13C; U-100% 15N; U-100% 2H] | 300 uM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.1 % |
Bruker AVANCE NEO - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 300 uM [U-100% 13C; U-100% 15N; U-100% 2H] Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-100% 13C; U-100% 15N; U-100% 2H] | 300 uM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.1 % |
Bruker AVANCE NEO - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 300 uM [U-100% 13C; U-100% 15N; U-100% 2H] Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Anaplastic lymphoma kinase ALK extracellular domain 673-1025 | [U-100% 13C; U-100% 15N; U-100% 2H] | 300 uM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.1 % |
Properties
Disulfide bonds
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
1:16:CYS:SG | 1:29:CYS:SG | oxidized, CA 55.364, CB 39.514 ppm | oxidized, CA 56.981, CB 37.156 ppm | n/a |
1:111:CYS:SG | 1:122:CYS:SG | oxidized, CA 52.406, CB 42.967 ppm | oxidized, CA 59.394, CB 39.86 ppm | n/a |
1:234:CYS:SG | 1:256:CYS:SG | oxidized, CA 53.769, CB 37.351 ppm | oxidized, CA 55.622, CB 34.934 ppm | n/a |
1:315:CYS:SG | 1:323:CYS:SG | oxidized, CA 52.219, CB 37.157 ppm | oxidized, CA 57.704, CB 35.369 ppm | n/a |
1:318:CYS:SG | 1:334:CYS:SG | oxidized, CA 53.48, CB 38.231 ppm | oxidized, CA 55.505, CB 37.438 ppm | n/a |
1:336:CYS:SG | 1:349:CYS:SG | oxidized, CA 53.337, CB 39.847 ppm | oxidized, CA 54.005, CB 40.686 ppm | n/a |
Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr30910_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 QTPIFDPTVHWLFTTCGASGPHGPTQAQCNNAYQNSNLSVEVGSEGPLKGIQIWKVPATDTYSISGYGAAGGKGGKNTMMRSHGVSVLGIFNLEKDDMLY ||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||| QTPIFDPTVHWLFTTCGASGPHGPTQAQCNNAYQNSNLSVEVGSE.PLKGIQIWKVPATDTYSISGYGAAGGKGGKNTMMRSHGVSVLGIFNLEKDDMLY --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200 ILVGQQGEDACPSTNQLIQKVCIGENNVIEEEIRVNRSVHEWAGGGGGGGGATYVFKMKDGVPVPLIIAAGGGGRAYGAKTDTFHPERLENNSSVLGLNG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ILVGQQGEDACPSTNQLIQKVCIGENNVIEEEIRVNRSVHEWAGGGGGGGGATYVFKMKDGVPVPLIIAAGGGGRAYGAKTDTFHPERLENNSSVLGLNG -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200 -------210-------220-------230-------240-------250-------260-------270-------280-------290-------300 NSGAAGGGGGWNDNTSLLWAGKSLQEGATGGHSCPQAMKKWGWETRGGFGGGGGGCSSGGGGGGYIGGNAASNNDPEMDGEDGVSFISPLGILYTPALKV |||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||| NSGAAGGGGGWNDNTSLLWAGK.LQEGATGGHSCPQAMKKWGWETRGGFGGGGGGCSSGGGGGGYIGGNAASNNDPEMDGEDGVSFISPLGILYT.ALKV -------210-------220-------230-------240-------250-------260-------270-------280-------290-------300 -------310-------320-------330-------340-------350--- MEGHGEVNIKHYLNCSHCEVDECHMDPESHKVICFCDHGTVLAEDGVSCIVSP |||||||||||||||||||||||||||||||||||||||||||||||||||| MEGHGEVNIKHYLNCSHCEVDECHMDPESHKVICFCDHGTVLAEDGVSCIVS -------310-------320-------330-------340-------350--
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 1441 | 1098 | 76.2 |
1H chemical shifts | 1922 | 508 | 26.4 |
15N chemical shifts | 382 | 323 | 84.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 706 | 669 | 94.8 |
1H chemical shifts | 757 | 316 | 41.7 |
15N chemical shifts | 337 | 316 | 93.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 735 | 429 | 58.4 |
1H chemical shifts | 1165 | 192 | 16.5 |
15N chemical shifts | 45 | 7 | 15.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 169 | 151 | 89.3 |
1H chemical shifts | 169 | 151 | 89.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 135 | 34 | 25.2 |
1H chemical shifts | 142 | 41 | 28.9 |
15N chemical shifts | 7 | 7 | 100.0 |