Trp-cage

the goodman group
university of cambridge

TRP-cage

Alternate names

PDB code: 1L2Y
NLYIQWLKDGGPSSGRPPPS
Asn-Leu-Tyr-Ile-Gln-Trp-Leu-Lys-Asp-Gly-Gly-Pro-Ser-Ser-Gly-Arg-Pro-Pro-Pro-Ser

Notes

This twenty amino acid peptide has been called the smallest protein, because it is 95 % folded at physiological pH

Literature

Designing a 20-residue protein
Neidigh, J.W., Fesinmeyer, R.M., Andersen, N.H. Nat. Struct. Biol. 2002, 9, 425-30.

SMILES

[NH3+][C@@H](CC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H]([C@H](C)CC)C(N[C@@H](CCC(N)=O)C(N[C@@H](CC2=CC3=C(C=CC=C3)N2)C(N[C@@H](CC(C)C)C(N[C@@H](CC(O)=O)C(NCC(NCC(N4[C@H](C(N[C@@H](CO)C(N[C@@H](CO)C(NCC(N[C@@H](CCCNC(N)=N)C(N5CCC[C@H]5C(N6[C@H](C(N7[C@H](C(N[C@@H](CO)C([O-])=O)=O)CCC7)=O)CCC6)=O)=O)=O)=O)=O)=O)CCC4)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O

Canonical SMILES

InChI
InChI=1/C98H149N27O29/c1-7-52(6)80(121-89(145)64(39-53-25-27-55(129)28-26-53)115-87(143)62(37-50(2)3)113-81(137)57(100)41-75(102)131)93(149)112-60(29-30-74(101)130)85(141)116-65(40-54-43-106-58-18-9-8-17-56(54)58)88(144)114-63(38-51(4)5)86(142)111-59(19-10-11-31-99)84(140)117-66(42-79(135)136)82(138)108-44-76(132)107-46-78(134)122-33-13-21-70(122)91(147)119-68(48-127)90(146)118-67(47-126)83(139)109-45-77(133)110-61(20-12-32-105-98(103)104)94(150)124-35-15-23-72(124)96(152)125-36-16-24-73(125)95(151)123-34-14-22-71(123)92(148)120-69(49-128)97(153)154/h8-9,17-18,25-28,43,50-52,57,59-73,80,106,126-129H,7,10-16,19-24,29-42,44-49,99-100H2,1-6H3,(H2,101,130)(H2,102,131)(H,107,132)(H,108,138)(H,109,139)(H,110,133)(H,111,142)(H,112,149)(H,113,137)(H,114,144)(H,115,143)(H,116,141)(H,117,140)(H,118,146)(H,119,147)(H,120,148)(H,121,145)(H,135,136)(H,153,154)(H4,103,104,105)/p+1/t52-,57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,80-/m0/s1
AuxInfo=1/1/N:64,23,24,123,124,63,62,105,106,141,142,232,189,284,256,270,103,104,140,231,188,283,255,269,42,43,44,45,80,81,143,233,190,285,257,271,21,121,40,97,5,162,99,171,221,178,213,202,297,22,122,61,41,98,46,100,2,102,137,77,228,18,118,37,94,159,210,199,294,185,280,252,266,82,6,172,222,179,163,58,3,160,211,138,78,119,19,95,38,200,186,281,59,229,267,253,295,235,144,1,84,8,236,237,234,101,177,170,220,227,136,76,17,117,36,93,158,209,198,293,57,184,279,251,265,214,203,298,47,83,7,173,223,180,164,165,4,161,212,139,79,120,20,96,39,201,187,282,60,230,268,254,296,299/E:(2,3)(4,5)(25,26)(27,28)(103,104)(135,136)(153,154)/it:im/rA:304cN+CCOCCONHHHHHHHHNCCOCCCCHHHHHHHHHHHNCCOCCCCCCCOHHHHHHHHHNCCOCCCCHHHHHHHHHHHNCCOCCCONHHHHHHHHNCCOCCCCNCCCCCHHHHHHHHHHNCCOCCCCHHHHHHHHHHHNCCOCCCCN+HHHHHHHHHHHHHNCCOCCO-OHHHHNCCOHHHNCCOHHHNCCOCCCHHHHHHHNCCOCOHHHHHNCCOCOHHHHHNCCOHHHNCCOCCCNCNN+HHHHHHHHHHHHHNCCOCCCHHHHHHHNCCOCCCHHHHHHHNCCOCCCHHHHHHHNCCOCOO-HHHHH/rB:s1;s2;d3;s2;s5;d6;s6;s1;s1;s1;s2;s5;s5;s8;s8;s3;s17;s18;d19;s18;s21;s22;s22;s17;s18;s21;s21;s22;s23;s23;s23;s24;s24;s24;s19;s36;s37;d38;s37;s40;s41;d41;d42;s43;s44d45;s46;s36;s37;s40;s40;s42;s43;s44;s45;s47;s38;s57;s58;d59;s58;s61;s61;s62;s57;s58;s61;s62;s62;s63;s63;s63;s64;s64;s64;s59;s76;s77;d78;s77;s80;s81;d82;s82;s76;s77;s80;s80;s81;s81;s84;s84;s78;s93;s94;d95;s94;s97;d98;s98;s99;d100s101;s100;s102;d103;d104s105;s93;s94;s97;s97;s99;s101;s103;s104;s105;s106;s95;s117;s118;d119;s118;s121;s122;s122;s117;s118;s121;s121;s122;s123;s123;s123;s124;s124;s124;s119;s136;s137;d138;s137;s140;s141;s142;s143;s136;s137;s140;s140;s141;s141;s142;s142;s143;s143;s144;s144;s144;s138;s158;s159;d160;s159;s162;s163;d163;s158;s159;s162;s162;s160;s170;s171;d172;s170;s171;s171;s172;s177;s178;d179;s177;s178;s178;s179;s184;s185;d186;s185;s188;s184s189;s185;s188;s188;s189;s189;s190;s190;s186;s198;s199;d200;s199;s202;s198;s199;s202;s202;s203;s200;s209;s210;d211;s210;s213;s209;s210;s213;s213;s214;s211;s220;s221;d222;s220;s221;s221;s222;s227;s228;d229;s228;s231;s232;s233;s234;s235;d235;s227;s228;s231;s231;s232;s232;s233;s233;s234;s236;s236;s237;s237;s229;s251;s252;d253;s252;s255;s251s256;s252;s255;s255;s256;s256;s257;s257;s253;s265;s266;d267;s266;s269;s265s270;s266;s269;s269;s270;s270;s271;s271;s267;s279;s280;d281;s280;s283;s279s284;s280;s283;s283;s284;s284;s285;s285;s281;s293;s294;d295;s294;s297;s295;s293;s294;s297;s297;s298;/rC:-8.901,4.127,-.555;-8.608,3.135,-1.618;-7.117,2.964,-1.897;-6.634,1.849,-1.758;-9.437,3.396,-2.889;-10.915,3.13,-2.611;-11.269,2.7,-1.524;-11.806,3.406,-3.543;-8.33,3.957,.261;-8.74,5.068,-.889;-9.877,4.041,-.293;-8.93,2.162,-1.239;-9.31,4.417,-3.193;-9.108,2.719,-3.679;-11.572,3.791,-4.444;-12.757,3.183,-3.294;-6.379,4.031,-2.228;-4.923,4.002,-2.452;-4.136,3.187,-1.404;-3.391,2.274,-1.76;-4.411,5.45,-2.619;-4.795,6.45,-1.495;-3.612,6.803,-.599;-5.351,7.748,-2.084;-6.821,4.923,-2.394;-4.75,3.494,-3.403;-3.34,5.414,-2.672;-4.813,5.817,-3.564;-5.568,6.022,-.858;-3.207,5.905,-.146;-2.841,7.304,-1.183;-3.929,7.477,.197;-4.607,8.209,-2.736;-6.255,7.544,-2.657;-5.592,8.445,-1.281;-4.354,3.455,-.111;-3.69,2.738,.981;-4.102,1.256,1.074;-3.291,.409,1.442;-3.964,3.472,2.302;-2.824,3.339,3.29;-1.82,4.326,3.332;-2.746,2.217,4.138;-.725,4.185,4.205;-1.657,2.076,5.018;-.639,3.053,5.043;.433,2.881,5.861;-4.934,4.245,.12;-2.615,2.768,.796;-4.117,4.513,2.091;-4.886,3.096,2.75;-1.877,5.2,2.695;-3.513,1.456,4.101;.033,4.952,4.233;-1.576,1.221,5.669;1.187,3.395,5.567;-5.342,.925,.689;-5.857,-.449,.613;-5.089,-1.221,-.47;-4.621,-2.334,-.226;-7.386,-.466,.343;-8.197,.54,1.197;-7.959,-1.884,.501;-8.019,.412,2.715;-5.906,1.656,.283;-5.67,-.941,1.568;-7.554,-.192,-.697;-7.9,1.531,.912;-9.257,.424,.964;-7.509,-2.555,-.232;-7.759,-2.271,1.501;-9.036,-1.871,.332;-8.306,-.585,3.049;-6.983,.606,2.995;-8.656,1.144,3.213;-4.907,-.601,-1.645;-4.122,-1.167,-2.743;-2.629,-1.321,-2.39;-1.986,-2.24,-2.884;-4.292,-.313,-4.013;-4.244,-1.171,-5.29;-5.576,-1.86,-5.585;-5.769,-3.044,-5.335;-6.532,-1.146,-6.152;-5.327,.318,-1.763;-4.517,-2.162,-2.94;-5.238,.191,-3.969;-3.492,.429,-4.053;-3.993,-.539,-6.12;-3.458,-1.923,-5.205;-6.389,-.184,-6.408;-7.392,-1.635,-6.335;-2.074,-.459,-1.528;-.716,-.631,-.993;-.631,-1.766,.044;.295,-2.579,-.004;-.221,.703,-.417;1.148,.652,.194;2.319,.664,-.482;1.508,.564,1.606;3.371,.56,.411;2.928,.515,1.71;.779,.524,2.812;3.599,.445,2.938;1.439,.433,4.053;2.842,.407,4.12;-2.624,.343,-1.242;-.052,-.908,-1.813;-.206,1.425,-1.211;-.921,1.044,.344;2.412,.733,-1.558;4.36,.536,.156;-.299,.571,2.773;4.679,.418,2.961;.862,.4,4.966;3.334,.36,5.081;-1.6,-1.86,.967;-1.641,-2.932,1.963;-1.847,-4.319,1.342;-1.144,-5.248,1.742;-2.71,-2.645,3.033;-2.301,-1.579,4.069;-3.475,-1.323,5.018;-1.093,-2.007,4.914;-2.316,-1.137,.994;-.666,-2.978,2.445;-3.6,-2.308,2.537;-2.921,-3.571,3.572;-2.061,-.649,3.56;-4.343,-.992,4.449;-3.725,-2.237,5.56;-3.211,-.549,5.739;-1.27,-2.989,5.354;-.195,-2.045,4.3;-.922,-1.286,5.712;-2.753,-4.481,.36;-3.024,-5.791,-.269;-1.796,-6.427,-.937;-1.719,-7.648,-1.03;-4.224,-5.697,-1.232;-3.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MInChI v0.9
MInChIxe1 C98H149N27O29 c1xh7xh52xl6 xr80xl121xh8 9xl145xr64xl 39xh53xh25xh 27xh55xl129x r28xh26xh53x r115xh87xl14 3xr62xl37xh5 0xl2xr3xr113 xh81xl137xr5 7xl100xr41xh 75xl102xr131 xr93xl149xr1 12xh60xl29xh 30xh74xl101x r130xr85xl14 1xr116xh65xl 40xh54xh43xh 106xh58xh18x h9xh8xh17xh5 6xl54xr58xr8 8xl144xr114x h63xl38xh51x l4xr5xr86xl1 42xr111xh59x l19xh10xh11x h31xh99xr84x l140xr117xh6 6xl42xh79xl1 35xr136xr82x l138xr108xh4 4xh76xl132xr 107xh46xh78x l134xr122xh3 3xh13xh21xh7 0xl122xr91xl 147xr119xh68 xl48xh127xr9 0xl146xr118x h67xl47xh126 xr83xl139xr1 09xh45xh77xl 133xr110xh61 xl20xh12xh32 xh105xh98xl1 03xr104xr94x l150xr124xh3 5xh15xh23xh7 2xl124xr96xl 152xr125xh36 xh16xh24xh73 xl125xr95xl1 51xr123xh34x h14xh22xh71x l123xr92xl14 8xr120xh69xl 49xh128xr97x l153xr154xsh 8xh9xc17xh18 xc25xh28xc43 xc50xh52xc57 xc59xh73xc80 xc106xc126xh 129Hxc7xc10x h16xc19xh24x c29xh42xc44x h49xc99xh100 H2xc1xh6H3xc xlH2xc101xc1 30xrxlH2xc10 2xc131xrxlHx c107xc132xrx lHxc108xc138 xrxlHxc109xc 139xrxlHxc11 0xc133xrxlHx c111xc142xrx lHxc112xc149 xrxlHxc113xc 137xrxlHxc11 4xc144xrxlHx c115xc143xrx lHxc116xc141 xrxlHxc117xc 140xrxlHxc11 8xc146xrxlHx c119xc147xrx lHxc120xc148 xrxlHxc121xc 145xrxlHxc13 5xc136xrxlHx c153xc154xrx lH4xc103xc10 4xc105xrxspx p1xst52xhxc5 7xhxc59xhxc6 0xhxc61xhxc6 2xhxc63xhxc6 4xhxc65xhxc6 6xhxc67xhxc6 8xhxc69xhxc7 0xhxc71xhxc7 2xhxc73xhxc8 0xhxsm0xss1

Structure files

MOL file ; PDB file

Conformation
PDB structure 1L2Y

Updated: 11 August 2006