Structure of EcDsbA-sulfonamide complex
AQYEDGKQYT TLEKPVAGAP QVLEFFSFFC PHCYQFEEVL HISDNVKKKL PEGVKMTKYH VNFMGGDLGK DLTQAWAVAM ALGVEDKVTV PLFEGVQKTQ TIRSASDIRD VFINAGIKGE EYDAAWNSFV VKSLVAQQEK AAADVQLRGV PAMFVNGKYQ LNPQGMDTSN MDVFVQQYAD TVKYLSEK
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS30:SG | 1:CYS33:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | |
---|---|---|---|
All | 15.2 % (304 of 2005) | 13.9 % (159 of 1143) | 16.8 % (145 of 862) |
Backbone | 8.8 % (82 of 933) | 7.9 % (30 of 382) | 9.4 % (52 of 551) |
Sidechain | 20.0 % (249 of 1247) | 17.0 % (129 of 761) | 24.7 % (120 of 486) |
Aromatic | 0.0 % (0 of 208) | 0.0 % (0 of 105) | 0.0 % (0 of 103) |
Methyl | 97.5 % (199 of 204) | 97.1 % (99 of 102) | 98.0 % (100 of 102) |
1. EcDsbA
AQYEDGKQYT TLEKPVAGAP QVLEFFSFFC PHCYQFEEVL HISDNVKKKL PEGVKMTKYH VNFMGGDLGK DLTQAWAVAM ALGVEDKVTV PLFEGVQKTQ TIRSASDIRD VFINAGIKGE EYDAAWNSFV VKSLVAQQEK AAADVQLRGV PAMFVNGKYQ LNPQGMDTSN MDVFVQQYAD TVKYLSEKSolvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.8, Details EcDsbA-sulfonamide complex
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EcDsbA | [U-100% 13C; U-100% 15N] | 0.4 mM | |
2 | sulfonamide | natural abundance | 1.5 mM | |
3 | D2O | [U-100% 2H] | 100 % |