Receptor
PDB id Resolution Class Description Source Keywords
1TG4 1.7 Å EC: 3.1.1.4 DESIGN OF SPECIFIC INHIBITORS OF GROUPII PHOSPHOLIPASE A2(PLA2): CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN R USSELLS VIPER PLA2 AND DESIGNED PEPTIDE PHE-LEU-ALA-TYR- LY S AT 1.7A RESOLUTION DABOIA RUSSELLII RUSSELLII PHOSPHOLIPASE A2FLAYKCOMPLEXSPECIFIC INHIBITORCRYSTAL STRUCTURE HYDROLASE
Ref.: DESIGN OF SPECIFIC INHIBITORS OF GROUPII PHOSPHOLIPASE A2(PLA2): CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN RUSSELLS VIPER PLA2 AND DESIGNED PEPTIDE PHE-LEU-ALA-TYR-LYS AT 1.7A RESOLUTION TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PHE LEU ALA TYR LYS I:1;
 Valid;
 none;
 submit data
641.79 n/a O=C([...
SO4 A:201;
A:202;
A:203;
A:204;
A:205;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JQ9 1.8 Å EC: 3.1.1.4 CRYSTAL STRUCTURE OF A COMPLEX FORMED BETWEEN PHOSPHOLIPASE DABOIA RUSSELLI PULCHELLA AND A DESIGNED PENTAPEPTIDE PHE-LT YR-LYS AT 1.8 RESOLUTION DABOIA RUSSELLII PULCHELLA PHOSPHOLIPASE A2 DABOIA RUSSELLI PULCHELLA NEUROTOXIC DESPEPTIDE HYDROLASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF A COMPLEX FORMED BETWEEN A SNA PHOSPHOLIPASE A2 AND A POTENT PEPTIDE INHIBITOR PHE-LEU-SER-TYR-LYS AT 1.8 A RESOLUTION J.BIOL.CHEM. V. 277 41079 2002
Members (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2QVD Kd = 0.000000064 M BER C20 H18 N O4 COc1ccc2cc....
2 1ZWP - NIM C13 H12 N2 O5 S CS(=O)(=O)....
3 1OXL - IDA C15 H18 N2 O3 CCCc1cc2cc....
4 1TG4 - PHE LEU ALA TYR LYS n/a n/a
5 1SKG - VAL ALA PHE ARG SER n/a n/a
6 1JQ9 Kd = 3.57 nM PHE LEU SER TYR LYS n/a n/a
7 2ARM Kd = 0.000000064 M OIN C17 H23 N O3 CN1[C@H]2C....
8 1FV0 Ki = 1.18 uM 9AR C17 H11 N O8 COc1c(ccc2....
9 1Q7A Kd = 0.000000064 M OPB C19 H20 N2 O3 CCCC[C@H]1....
10 1TG1 - PHQ LEU VAL ARG TYR n/a n/a
11 1ZYX - LCF C23 H22 Cl N O2 CC1(Cc2c(c....
12 1TJK - PHE LEU SER THR LYS n/a n/a
13 1KPM Ki = 1.59 uM VIT C29 H50 O2 Cc1c(c2c(c....
14 1TP2 - TDA C13 H26 O2 CCCCCCCCCC....
15 1TDV - TYR TRP ALA ALA ALA ALA n/a n/a
16 1TJ9 - VAL ALA ARG SER n/a n/a
17 1JQ8 Ki = 1.01 uM LEU ALA ILE TYR SER n/a n/a
18 1SQZ - PHQ ILE ALA ARG SER n/a n/a
19 1TGM - AIN C9 H8 O4 CC(=O)Oc1c....
20 1ZR8 - AJM C18 H22 N2 O2 C[N@]1c2cc....
21 1TH6 - OIN C17 H23 N O3 CN1[C@H]2C....
22 1Y38 - G3P C3 H9 O6 P C([C@H](CO....
23 3H1X Kd = 0.000000064 M IMN C19 H16 Cl N O4 Cc1c(c2cc(....
24 1SXK - BHA C7 H7 N O3 c1cc(c(cc1....
25 1TK4 - ALA ILE ARG SER n/a n/a
26 1SV3 - ANN C8 H8 O3 COc1ccc(cc....
70% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2QVD Kd = 0.000000064 M BER C20 H18 N O4 COc1ccc2cc....
2 1ZWP - NIM C13 H12 N2 O5 S CS(=O)(=O)....
3 1OXL - IDA C15 H18 N2 O3 CCCc1cc2cc....
4 1TG4 - PHE LEU ALA TYR LYS n/a n/a
5 1SKG - VAL ALA PHE ARG SER n/a n/a
6 1JQ9 Kd = 3.57 nM PHE LEU SER TYR LYS n/a n/a
7 2ARM Kd = 0.000000064 M OIN C17 H23 N O3 CN1[C@H]2C....
8 1FV0 Ki = 1.18 uM 9AR C17 H11 N O8 COc1c(ccc2....
9 1Q7A Kd = 0.000000064 M OPB C19 H20 N2 O3 CCCC[C@H]1....
10 1TG1 - PHQ LEU VAL ARG TYR n/a n/a
11 1ZYX - LCF C23 H22 Cl N O2 CC1(Cc2c(c....
12 1TJK - PHE LEU SER THR LYS n/a n/a
13 1KPM Ki = 1.59 uM VIT C29 H50 O2 Cc1c(c2c(c....
14 1TP2 - TDA C13 H26 O2 CCCCCCCCCC....
15 1TDV - TYR TRP ALA ALA ALA ALA n/a n/a
16 1TJ9 - VAL ALA ARG SER n/a n/a
17 1JQ8 Ki = 1.01 uM LEU ALA ILE TYR SER n/a n/a
18 1SQZ - PHQ ILE ALA ARG SER n/a n/a
19 1TGM - AIN C9 H8 O4 CC(=O)Oc1c....
20 1ZR8 - AJM C18 H22 N2 O2 C[N@]1c2cc....
21 1TH6 - OIN C17 H23 N O3 CN1[C@H]2C....
22 1Y38 - G3P C3 H9 O6 P C([C@H](CO....
23 3H1X Kd = 0.000000064 M IMN C19 H16 Cl N O4 Cc1c(c2cc(....
24 1SXK - BHA C7 H7 N O3 c1cc(c(cc1....
25 1TK4 - ALA ILE ARG SER n/a n/a
26 1SV3 - ANN C8 H8 O3 COc1ccc(cc....
27 2QHD - DAO C12 H24 O2 CCCCCCCCCC....
28 3BJW - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
50% Homology Family (86)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1U4J - MAN C6 H12 O6 C([C@@H]1[....
2 4YU7 - DHC C9 H8 O4 c1cc(c(cc1....
3 3MLM - MYR C14 H28 O2 CCCCCCCCCC....
4 3CXI - VIT C29 H50 O2 Cc1c(c2c(c....
5 1XXS - STE C18 H36 O2 CCCCCCCCCC....
6 6PWH - VRD C21 H20 N2 O5 CCc1c(c2c(....
7 3CYL - VIT C29 H50 O2 Cc1c(c2c(c....
8 6MQF - AIN C9 H8 O4 CC(=O)Oc1c....
9 6B81 - OCA C8 H16 O2 CCCCCCCC(=....
10 6DIK - GKP C22 H18 O12 c1c(cc(c(c....
11 6B80 - MYR C14 H28 O2 CCCCCCCCCC....
12 5VFJ Kd = 20 uM DHC C9 H8 O4 c1cc(c(cc1....
13 6B83 - 6NA C6 H12 O2 CCCCCC(=O)....
14 4YV5 Kd = 0.6 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
15 4YZ7 - 9AR C17 H11 N O8 COc1c(ccc2....
16 3QNL - ROA C18 H16 O8 c1cc(c(cc1....
17 1Y4L - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
18 1FDK - GLE C16 H32 F3 O6 P CCCCCCCCCC....
19 1MKV - GEL C20 H45 N O8 P2 CCCCCCCCOC....
20 2B96 - ANN C8 H8 O3 COc1ccc(cc....
21 5OW8 ic50 = 6.9 uM AYN C16 H11 F3 N2 O c1ccc2c(c1....
22 4UY1 ic50 = 20 uM TJM C10 H11 N3 O S Cc1cc(c(s1....
23 5OWC ic50 = 0.026 uM AYZ C19 H15 F3 N2 O4 c1cc(cc(c1....
24 5G3M ic50 = 2.2 uM 9JH C14 H13 N O c1ccc(cc1)....
25 2AZY - CHD C24 H40 O5 C[C@H](CCC....
26 1HN4 Kd = 0.15 mM MJI C22 H44 F3 O6 P CCCCCCCCCC....
27 2B01 - TUD C26 H45 N O6 S C[C@H](CCC....
28 1Y6O - MJI C22 H44 F3 O6 P CCCCCCCCCC....
29 2AZZ - TCH C26 H45 N O7 S C[C@H](CCC....
30 2B04 - CHO C26 H43 N O5 C[C@H](CCC....
31 2B00 - GCH C26 H43 N O6 C[C@H](CCC....
32 5P2P - DHG C20 H42 N O6 P CCCCCCCCCC....
33 3O4M - CAQ C6 H6 O2 c1ccc(c(c1....
34 2B03 - TUD C26 H45 N O6 S C[C@H](CCC....
35 1L8S - LPE C26 H57 N O6 P CCCCCCCCCC....
36 1FXF - MJI C22 H44 F3 O6 P CCCCCCCCCC....
37 1FX9 - MJI C22 H44 F3 O6 P CCCCCCCCCC....
38 3QLM Ki = 0.0000158 M PLM C16 H32 O2 CCCCCCCCCC....
39 1POE - GEL C20 H45 N O8 P2 CCCCCCCCOC....
40 1DB4 - 8IN C21 H25 N2 O5 P Cc1c(c2cc(....
41 1KQU - BR4 C25 H33 N O3 c1ccc(cc1)....
42 5G3N ic50 = 0.012 uM X28 C23 H21 N O3 c1ccc(cc1)....
43 1KVO ic50 = 0.013 uM OAP C31 H37 N O3 S c1ccc(cc1)....
44 1J1A ic50 = 0.029 uM BHP C31 H37 N O4 c1ccc(cc1)....
45 6CE2 Kd = 0.5 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
46 2QVD Kd = 0.000000064 M BER C20 H18 N O4 COc1ccc2cc....
47 1ZWP - NIM C13 H12 N2 O5 S CS(=O)(=O)....
48 1OXL - IDA C15 H18 N2 O3 CCCc1cc2cc....
49 1TG4 - PHE LEU ALA TYR LYS n/a n/a
50 1SKG - VAL ALA PHE ARG SER n/a n/a
51 1JQ9 Kd = 3.57 nM PHE LEU SER TYR LYS n/a n/a
52 2ARM Kd = 0.000000064 M OIN C17 H23 N O3 CN1[C@H]2C....
53 1FV0 Ki = 1.18 uM 9AR C17 H11 N O8 COc1c(ccc2....
54 1Q7A Kd = 0.000000064 M OPB C19 H20 N2 O3 CCCC[C@H]1....
55 1TG1 - PHQ LEU VAL ARG TYR n/a n/a
56 1ZYX - LCF C23 H22 Cl N O2 CC1(Cc2c(c....
57 1TJK - PHE LEU SER THR LYS n/a n/a
58 1KPM Ki = 1.59 uM VIT C29 H50 O2 Cc1c(c2c(c....
59 1TP2 - TDA C13 H26 O2 CCCCCCCCCC....
60 1TDV - TYR TRP ALA ALA ALA ALA n/a n/a
61 1TJ9 - VAL ALA ARG SER n/a n/a
62 1JQ8 Ki = 1.01 uM LEU ALA ILE TYR SER n/a n/a
63 1SQZ - PHQ ILE ALA ARG SER n/a n/a
64 1TGM - AIN C9 H8 O4 CC(=O)Oc1c....
65 1ZR8 - AJM C18 H22 N2 O2 C[N@]1c2cc....
66 1TH6 - OIN C17 H23 N O3 CN1[C@H]2C....
67 1Y38 - G3P C3 H9 O6 P C([C@H](CO....
68 3H1X Kd = 0.000000064 M IMN C19 H16 Cl N O4 Cc1c(c2cc(....
69 1SXK - BHA C7 H7 N O3 c1cc(c(cc1....
70 1TK4 - ALA ILE ARG SER n/a n/a
71 1SV3 - ANN C8 H8 O3 COc1ccc(cc....
72 5WZW ic50 = 1.23 uM U8D C22 H27 N2 O5 P CCc1c(c2cc....
73 5WZU ic50 = 0.1 uM 7W3 C21 H17 F3 N2 O5 Cc1c(c2c(n....
74 5WZT ic50 = 0.22 uM 7W6 C20 H17 Br N2 O5 Cc1c(c2c(n....
75 5WZS ic50 = 0.28 uM 7W9 C24 H20 N2 O5 Cc1c(c2c(n....
76 5Y5E - 7W3 C21 H17 F3 N2 O5 Cc1c(c2c(n....
77 5WZV ic50 = 0.21 uM 7W0 C26 H22 N2 O5 Cc1c(c2c(n....
78 6G5J ic50 = 0.2 uM EM8 C20 H17 F3 N2 O4 C[C@H](CC(....
79 2QHD - DAO C12 H24 O2 CCCCCCCCCC....
80 3BJW - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
81 1S8G - DAO C12 H24 O2 CCCCCCCCCC....
82 1POB - GEL C20 H45 N O8 P2 CCCCCCCCOC....
83 1TD7 Kd = 43 uM NFL C13 H9 F3 N2 O2 c1cc(cc(c1....
84 1OXR Kd = 0.000000064 M AIN C9 H8 O4 CC(=O)Oc1c....
85 2WQ5 Kd = 180 uM MIY C23 H27 N3 O7 CN(C)c1ccc....
86 1MF4 Ki = 10.2 nM VAL ALA PHE ARG SER n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PHE LEU ALA TYR LYS; Similar ligands found: 152
No: Ligand ECFP6 Tc MDL keys Tc
1 PHE LEU ALA TYR LYS 1 1
2 PHE LEU SER TYR LYS 0.827957 0.924528
3 PHE LEU GLU LYS 0.663158 0.84
4 PHE TYR ARG ALA LEU MET 0.640351 0.813559
5 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.601695 0.827586
6 LYS TYR LYS 0.593407 0.86
7 GLU LEU ASP LYS TYR ALA SER 0.584071 0.87037
8 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.566929 0.827586
9 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.566929 0.742424
10 GLU ASN LEU TYR PHE GLN 0.563636 0.849057
11 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.56 0.830508
12 PHE ARG TYR LEU GLY 0.539823 0.842105
13 GLY ASN TYR SER PHE TYR ALA LEU 0.535714 0.789474
14 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.532258 0.849057
15 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.525424 0.854545
16 CYS ASP PTR ALA ASN PHE LYS 0.525253 0.735849
17 ALA MET TYR LYS 0.524272 0.867925
18 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.521127 0.816667
19 TYR GLN SER LYS LEU 0.518519 0.87037
20 TYR GLY GLY PHE LEU 0.509259 0.921569
21 ACE PHE ALA TYR M3L SER NH2 0.508929 0.761905
22 GLU LEU ARG ARG LYS MET MET TYR MET 0.508065 0.758065
23 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.5 0.745763
24 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.5 0.754098
25 ASP GLU LEU GLU ILE LYS ALA TYR 0.5 0.886792
26 GLY LEU TYR ALA SER LYS LEU ALA 0.5 0.836364
27 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.496124 0.821429
28 GLY GLY LYS LYS LYS TYR LYS LEU 0.490909 0.903846
29 LYS LEU LYS 0.488889 0.78
30 GLU ASN GLN LYS GLU TYR PHE PHE 0.486957 0.833333
31 PHE ALA GLN 0.484211 0.66
32 GLU GLN TYR LYS PHE TYR SER VAL 0.483607 0.872727
33 PHE LEU SER THR LYS 0.482143 0.796296
34 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.481752 0.774194
35 TYR GLN PHE 0.48 0.8
36 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.478992 0.846154
37 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.478992 0.766667
38 TYR LEU PHE VAL GLN ARG ASP SER LYS GLU 0.478723 0.795918
39 LYS LEU LEU PHE 0.475248 0.816327
40 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.473684 0.810345
41 GLY GLY LYS LYS LYS TYR GLN LEU 0.470085 0.903846
42 SER LEU TYR LEU THR VAL ALA THR LEU 0.470085 0.777778
43 HIS LEU TYR PHE SER SEP ASN 0.469697 0.633803
44 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.469565 0.727273
45 CYS THR PHE LYS THR LYS THR ASN 0.469565 0.736842
46 ASP ALA ASP GLU TYR LEU 0.469027 0.807692
47 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.465116 0.87037
48 TYR GLY GLY PHE MET 0.464912 0.836364
49 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.464286 0.781818
50 LEU ALA ILE TYR SER 0.463636 0.826923
51 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.463415 0.766667
52 GLU LEU LYS ARG LYS MET ILE TYR MET 0.463235 0.758065
53 ALA THR ILE GLY THR ALA MET TYR LYS 0.462687 0.779661
54 SER LEU ARG PHE LEU TYR GLU GLY 0.460938 0.786885
55 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.460317 0.851852
56 THR LYS ASN TYR LYS GLN PHE SER VAL 0.459677 0.857143
57 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.458015 0.767857
58 LYS VAL LEU PHE LEU ASP GLY 0.457627 0.807692
59 DLY DTY DLY DLY DAL DLE ZDC 0.454545 0.737705
60 TYR LEU ASP SER GLY ILE HIS SER GLY ALA 0.45283 0.792453
61 GLN VAL ASN PHE LEU GLY LYS 0.452381 0.763636
62 TYR LEU VAL VAL VAL GLY ALA VAL GLY VAL 0.452174 0.862745
63 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.451852 0.859649
64 SER LEU TYR ASN THR VAL ALA THR LEU 0.451613 0.75
65 SER LEU PHE ASN THR VAL ALA THR LEU 0.451613 0.696429
66 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.451389 0.774194
67 THR PHE LYS LYS THR ASN 0.451327 0.75
68 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.44898 0.777778
69 ALA VAL TYR ASN PHE ALA THR MET 0.448819 0.745763
70 SER LEU TYR ASN THR ILE ALA THR LEU 0.448 0.754386
71 SER LEU TYR ASN VAL VAL ALA THR LEU 0.448 0.75
72 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.446154 0.836364
73 SER ILE ILE ASN PHE GLU LYS LEU 0.445312 0.754386
74 GLU LEU ASN ARG LYS MET ILE TYR MET 0.444444 0.723077
75 TYR PHE SER SEP ASN 0.444444 0.625
76 ACE PHE LYS PHE TA2 ALA LEU ARG NH2 0.443609 0.737705
77 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.440945 0.694915
78 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.440298 0.781818
79 GLY GLY ARG LYS LYS TYR LYS LEU 0.439024 0.810345
80 GLY GLY LYS LYS ARG TYR LYS LEU 0.439024 0.810345
81 GLY GLY LYS LYS LYS TYR ARG LEU 0.439024 0.810345
82 PHE GLU ALA ASN GLY ASN LEU ILE 0.4375 0.732143
83 GLU ILE ILE ASN PHE GLU LYS LEU 0.4375 0.763636
84 THR ASN GLU PHE TYR ALA 0.435897 0.763636
85 LYS HPE LYS 0.435644 0.76
86 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.435115 0.839286
87 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.434783 0.88
88 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.433333 0.765625
89 ARG GLN ALA ASN PHE LEU GLY LYS 0.432203 0.709091
90 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.432 0.833333
91 THR PRO ASP TYR PHE LEU 0.431034 0.875
92 TI2 0.43 0.705882
93 ALA GLN PHE SER ALA SER ALA SER ARG 0.429752 0.655738
94 ACE LEU PHE PHE GLK CF0 GLU 0.428571 0.769231
95 PHE SER ALA PTR VAL SER GLU GLU ASP 0.427419 0.677419
96 THR ASN GLU TYR LYS VAL 0.42735 0.867925
97 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.426752 0.727273
98 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.426471 0.807018
99 THR LYS CYS VAL PHE MET 0.42623 0.77193
100 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.425197 0.8
101 SER GLY ILE PHE LEU GLU THR SER 0.425 0.732143
102 GLU LEU GLU LYS TRP ALA SER 0.424242 0.762712
103 LYS ALA LYS 0.423913 0.72
104 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.423358 0.842105
105 TYR SER ALA 0.42268 0.735849
106 CYS THR GLU LEU LYS LEU SER ASP TYR 0.421053 0.839286
107 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.42069 0.676056
108 GLU LEU LYS TPO GLU ARG TYR 0.42029 0.701493
109 SER ILE ILE GLY PHE GLU LYS LEU 0.419847 0.767857
110 ARG TYR GLY PHE VAL ALA ASN PHE 0.419118 0.783333
111 GLY ASN PHE LEU GLN SER ARG 0.418605 0.666667
112 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.41844 0.666667
113 THR ASN GLU PHE TYR PHE 0.418182 0.754717
114 SER SER ARG LYS GLU TYR TYR ALA 0.418033 0.824561
115 LEU GLU LYS ALA ARG GLY SER THR TYR 0.417808 0.746032
116 SER GLN TYR TYR TYR ASN SER LEU 0.415254 0.821429
117 SER GLU LEU GLU ILE LYS ARG TYR 0.414815 0.758065
118 GLU LEU ASP LYS TRP ALA SER 0.414815 0.75
119 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.414286 0.789474
120 ASP PHE GLU ASP TYR GLU PHE ASP 0.413793 0.777778
121 TYR LEU GLY ALA ASN GLY 0.413793 0.781818
122 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.413333 0.774194
123 ACE PHE LYS PHE PSA LEU AAR 0.412214 0.725806
124 ALA ALA TRP LEU PHE GLU ALA 0.412214 0.714286
125 FME TYR PHE ILE ASN ILE LEU THR LEU 0.411765 0.75
126 SER ALA ASN SER PHE THR LEU ILE GLY GLU 0.411765 0.736842
127 GLU LEU ASP LYS TRP ALA ASN 0.411765 0.733333
128 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.411348 0.641791
129 HIS GLU GLU LEU ALA LYS LEU 0.411215 0.78
130 ACE LEU PHE 0.410526 0.68
131 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.408696 0.685185
132 ARG GLY TYR LEU TYR GLN GLY LEU 0.407692 0.842105
133 MET LEU ILE TYR SER MET TRP GLY LYS 0.407643 0.731343
134 ARG VAL LEU PHE GLU ALA MET 0.407407 0.688525
135 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.40625 0.854545
136 ALA LEU ASP LEU PHE 0.405941 0.686275
137 THR ASN GLU PHE ALA PHE 0.405405 0.679245
138 LYS LEU PHE SER PHE GLY GLY 0.405172 0.75
139 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.40458 0.721311
140 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.40411 0.777778
141 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 0.40411 0.642857
142 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.40411 0.731343
143 THR THR ALA PRO PHE LEU SER GLY LYS 0.40411 0.647059
144 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.40411 0.813559
145 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.403101 0.754098
146 PHE PRO THR LYS ASP VAL ALA LEU 0.402778 0.666667
147 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.401408 0.676923
148 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.4 0.705882
149 SER GLU ILE GLU PHE ALA ARG LEU 0.4 0.688525
150 LYS VAL ILE THR PHE ILE ASP LEU 0.4 0.8
151 ALA VAL ALA PHE TYR ILE PRO ASP GLN ALA 0.4 0.770492
152 ALA ILE PHE GLN SER SER MET THR LYS 0.4 0.704918
Similar Ligands (3D)
Ligand no: 1; Ligand: PHE LEU ALA TYR LYS; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JQ9; Ligand: PHE LEU SER TYR LYS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1jq9.bio4) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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