Ligand induced structure of AmyP-SBD
TPSASGLTKV ATVSAASSLI GEGFMAQCDN PTIEGDGPIG KTLYVVGDFA DASWKQKPHR AYRYVGENTY QAVVDEKAGA FRMQYASKDW SPQFTADGLE LTPGKTASLK RGGYGQDTAV TLPEAGQYVW SLKFTDSGDP EQIMVSKCPL EHHHHHH
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS28:SG | 1:CYS148:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 83.4 % (1455 of 1745) | 86.4 % (776 of 898) | 77.1 % (529 of 686) | 93.2 % (150 of 161) |
Backbone | 90.8 % (839 of 924) | 92.2 % (296 of 321) | 89.0 % (405 of 455) | 93.2 % (138 of 148) |
Sidechain | 77.1 % (742 of 962) | 83.2 % (480 of 577) | 67.2 % (250 of 372) | 92.3 % (12 of 13) |
Aromatic | 30.0 % (51 of 170) | 52.9 % (45 of 85) | 4.9 % (4 of 82) | 66.7 % (2 of 3) |
Methyl | 88.5 % (131 of 148) | 93.2 % (69 of 74) | 83.8 % (62 of 74) |
1. entity 1
TPSASGLTKV ATVSAASSLI GEGFMAQCDN PTIEGDGPIG KTLYVVGDFA DASWKQKPHR AYRYVGENTY QAVVDEKAGA FRMQYASKDW SPQFTADGLE LTPGKTASLK RGGYGQDTAV TLPEAGQYVW SLKFTDSGDP EQIMVSKCPL EHHHHHHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 0.4 mM [U-99% 15N] AmyP-SBD, 2 mM NA- beta-cyclodextrin, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AmyP-SBD | [U-99% 15N] | protein | 0.4 mM |
2 | beta-cyclodextrin | natural abundance | 2 mM | |
3 | NaH2PO4 | natural abundance | buffer | 20 mM |
4 | NaCl | natural abundance | salt | 150 mM |
5 | H2O | natural abundance | solvent | 90 % |
6 | D2O | [U-2H] | solvent | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 0.4 mM [U-99% 13C; U-99% 15N] AmyP-SBD, 2 mM NA beta-cyclodextrin, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | AmyP-SBD | [U-99% 13C; U-99% 15N] | protein | 0.4 mM |
8 | beta-cyclodextrin | natural abundance | 2 mM | |
9 | H2O | natural abundance | solvent | 90 % |
10 | D2O | [U-2H] | solvent | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 0.4 mM [U-99% 13C; U-99% 15N] AmyP-SBD, 2 mM NA beta-cyclodextrin, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | AmyP-SBD | [U-99% 13C; U-99% 15N] | protein | 0.4 mM |
12 | beta-cyclodextrin | natural abundance | 2 mM | |
13 | D2O | [U-2H] | solvent | 100 % |