Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:301;
A:302;
A:304;
B:303;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
60.052 C2 H4 O2 CC(=O...
PHE LEU SER TYR LYS P:1;
 Valid;
 none;
 Kd = 3.57 nM
657.789 n/a O=C([...
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 SER TYR LYS; Similar ligands found: 164
No: Ligand ECFP6 Tc MDL keys Tc
1 PHE LEU SER TYR LYS 1 1
2 PHE LEU ALA TYR LYS 0.827957 0.924528
3 PHE LEU GLU LYS 0.663158 0.777778
4 TYR GLN SER LYS LEU 0.623762 0.944444
5 LYS TYR LYS 0.593407 0.796296
6 GLU GLN TYR LYS PHE TYR SER VAL 0.573913 0.945455
7 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.572581 0.806452
8 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.566929 0.75
9 PHE LEU SER THR LYS 0.566038 0.87037
10 GLU ASN LEU TYR PHE GLN 0.563636 0.854545
11 PHE TYR ARG ALA LEU MET 0.558333 0.761905
12 GLU LEU ASP LYS TYR ALA SER 0.556522 0.909091
13 PHE ARG TYR LEU GLY 0.553571 0.786885
14 HIS LEU TYR PHE SER SEP ASN 0.552 0.690141
15 GLY ASN TYR SER PHE TYR ALA LEU 0.54955 0.859649
16 ALA MET TYR LYS 0.539216 0.807018
17 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.538462 0.927273
18 THR LYS ASN TYR LYS GLN PHE SER VAL 0.533898 0.928571
19 CYS ASP PTR ALA ASN PHE LYS 0.525253 0.745455
20 TYR PHE SER SEP ASN 0.522523 0.6875
21 GLU LEU ARG ARG LYS MET MET TYR MET 0.520325 0.712121
22 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.51938 0.929825
23 GLY LEU TYR ALA SER LYS LEU ALA 0.513274 0.909091
24 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.512 0.774194
25 TYR GLY GLY PHE LEU 0.509259 0.854545
26 LYS LEU PHE SER PHE GLY GLY 0.509259 0.821429
27 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.507692 0.87931
28 GLY GLY LYS LYS LYS TYR LYS LEU 0.504587 0.839286
29 SER GLN TYR TYR TYR ASN SER LEU 0.504505 0.892857
30 CYS THR GLU LEU LYS LEU SER ASP TYR 0.5 0.910714
31 GLY ASN PHE LEU GLN SER ARG 0.5 0.730159
32 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.496241 0.774194
33 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.496124 0.892857
34 SER LEU ARG PHE LEU TYR GLU GLY 0.496 0.852459
35 LYS LEU LYS 0.488889 0.722222
36 GLU ASN GLN LYS GLU TYR PHE PHE 0.486957 0.839286
37 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.483871 0.786885
38 TYR SER ALA 0.483871 0.811321
39 MET LEU ILE TYR SER MET TRP GLY LYS 0.483221 0.791045
40 GLY GLY LYS LYS LYS TYR GLN LEU 0.482759 0.839286
41 LYS VAL LEU PHE LEU ASP GLY 0.482759 0.781818
42 TYR LEU ASP SER GLY ILE HIS SER GLY ALA 0.480769 0.833333
43 TYR GLN PHE 0.48 0.740741
44 TYR LEU PHE VAL GLN ARG ASP SER LYS GLU 0.478723 0.735849
45 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.477273 0.912281
46 ALA ILE PHE GLN SER SER MET THR LYS 0.476562 0.770492
47 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.472 0.857143
48 GLY LEU MET TRP LEU SER TYR PHE VAL 0.470588 0.784615
49 SER LEU TYR LEU THR VAL ALA THR LEU 0.470085 0.851852
50 ACE PHE ALA TYR M3L SER NH2 0.469565 0.825397
51 SER ILE ILE ASN PHE GLU LYS LEU 0.468254 0.824561
52 TYR GLY GLY PHE MET 0.464912 0.779661
53 GLY SER TYR LEU VAL THR SER VAL 0.464912 0.839286
54 GLN VAL ASN PHE LEU GLY LYS 0.464 0.77193
55 GLU LEU LYS ARG LYS MET ILE TYR MET 0.463235 0.712121
56 PRO LEU SER LYS 0.461538 0.762712
57 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.461538 0.888889
58 SER GLY ILE PHE LEU GLU THR SER 0.461538 0.803571
59 LYS LEU LEU PHE 0.460784 0.754717
60 ACE ILE TYR GLU SER LEU 0.460177 0.854545
61 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.459459 0.852459
62 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.457364 0.842105
63 CYS THR PHE LYS THR LYS THR ASN 0.456897 0.775862
64 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.45614 0.677419
65 ALA ARG THR GLU LEU TYR ARG SER LEU 0.453846 0.806452
66 ALA GLN PHE SER ALA SER ALA SER ARG 0.453782 0.721311
67 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.451389 0.83871
68 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.451327 0.728814
69 GLY GLY ARG LYS LYS TYR LYS LEU 0.45082 0.758065
70 GLY GLY LYS LYS ARG TYR LYS LEU 0.45082 0.758065
71 GLY GLY LYS LYS LYS TYR ARG LEU 0.45082 0.758065
72 LEU ALA ILE TYR SER 0.45045 0.833333
73 LYS VAL LEU SER LYS ILE PHE MYR 0.449275 0.79661
74 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.448 0.872727
75 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.447761 0.786885
76 PHE GLU ASP LEU ARG VAL SER SER PHE 0.447761 0.786885
77 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.447368 0.814815
78 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.445205 0.768116
79 THR THR ALA PRO PHE LEU SER GLY LYS 0.443662 0.705882
80 THR PRO ASP TYR PHE LEU 0.443478 0.847458
81 ACE LEU PHE PHE GLK CF0 GLU 0.442308 0.714286
82 SER ILE ILE GLY PHE GLU LYS LEU 0.44186 0.839286
83 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.440298 0.789474
84 SER LEU TYR ASN THR VAL ALA THR LEU 0.44 0.821429
85 SER LEU PHE ASN THR VAL ALA THR LEU 0.44 0.767857
86 LYS SER LYS 0.43956 0.740741
87 THR PHE LYS LYS THR ASN 0.438596 0.789474
88 ASP PHE SER ILE 0.438095 0.732143
89 THR LYS CYS VAL PHE MET 0.438017 0.810345
90 GLU ILE ILE ASN PHE GLU LYS LEU 0.4375 0.77193
91 SER LEU TYR ASN VAL VAL ALA THR LEU 0.436508 0.821429
92 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.43609 0.839286
93 SER GLU LEU GLU ILE LYS ARG TYR 0.43609 0.822581
94 LYS HPE LYS 0.435644 0.703704
95 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.434783 0.737705
96 GLU LEU ASN ARG LYS MET ILE TYR MET 0.434483 0.731343
97 ACE PHE LYS PHE PSA LEU AAR 0.434109 0.761905
98 ACE SER LEU ASN PHE 0.433962 0.736842
99 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.433824 0.790323
100 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.432836 0.698413
101 SER ALA ASN SER PHE THR LEU ILE GLY GLU 0.432836 0.807018
102 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.432 0.839286
103 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.431818 0.821429
104 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.431818 0.909091
105 ASP GLU LEU GLU ILE LYS ALA TYR 0.430769 0.857143
106 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.429577 0.727273
107 THR LYS ASN TYR LYS GLN THR SER VAL 0.427481 0.877193
108 TYR LEU VAL VAL VAL GLY ALA VAL GLY VAL 0.42735 0.8
109 THR ASN GLU TYR LYS VAL 0.42735 0.872727
110 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.426471 0.803279
111 ASP PHE GLU ASP TYR GLU PHE ASP 0.426087 0.754386
112 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.425532 0.753846
113 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.425532 0.753846
114 SER LEU TYR ASN THR ILE ALA THR LEU 0.425197 0.824561
115 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.424242 0.877193
116 THR ASN GLU PHE TYR ALA 0.423729 0.803571
117 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.423611 0.731343
118 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.422819 0.727273
119 ACE PHE LYS PHE TA2 ALA LEU ARG NH2 0.422222 0.746032
120 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.421429 0.676471
121 ALA THR ILE GLY THR ALA MET TYR LYS 0.42029 0.816667
122 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.42 0.731343
123 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.419355 0.785714
124 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.419355 0.774194
125 VAL TYR ARG SER LEU SEP PHE GLU 0.419355 0.68254
126 ASP ALA ASP GLU TYR LEU 0.418803 0.781818
127 ARG GLY TYR LEU TYR GLN GLY LEU 0.418605 0.786885
128 THR ASN GLU PHE TYR PHE 0.418182 0.763636
129 SER SER ARG LYS GLU TYR TYR ALA 0.418033 0.770492
130 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.417219 0.753623
131 TI2 0.415842 0.654545
132 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.414815 0.746269
133 ACE GLY LYS SER PHE SER LYS PRO ARG 0.414815 0.652174
134 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.413793 0.790323
135 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 0.413793 0.7
136 PRO ALA ILE LEU TYR ALA LEU LEU SER SER 0.412214 0.85
137 FME TYR PHE ILE ASN ILE LEU THR LEU 0.411765 0.786885
138 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.411348 0.637681
139 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.410959 0.684932
140 LYS VAL ILE THR PHE ILE ASP LEU 0.410853 0.839286
141 ACE LEU PHE 0.410526 0.62963
142 GLU LEU LYS TPO GLU ARG TYR 0.410072 0.710145
143 PHE ALA GLN 0.41 0.611111
144 LEU PRO PHE GLU LYS SER THR VAL MET 0.409396 0.676056
145 CYS VAL PHE MET 0.409091 0.684211
146 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.408333 0.767857
147 GLU THR PHE TYR VAL ASP GLY 0.408 0.875
148 PRO GLU SEP LEU GLU SER CYS PHE 0.408 0.6875
149 DLY DTY DLY DLY DAL DLE ZDC 0.408 0.774194
150 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.40625 0.859649
151 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.40625 0.774194
152 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.40625 0.854545
153 ALA LEU ASP LEU PHE 0.405941 0.666667
154 SER LEU LEU LYS LYS LEU LEU ASP 0.40566 0.785714
155 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.405229 0.8
156 GLY SER ASP PRO PHE LYS 0.404762 0.641791
157 PHE SER ALA PTR VAL SER GLU GLU ASP 0.404762 0.741935
158 ALA VAL TYR ASN PHE ALA THR MET 0.40458 0.783333
159 SER HIS PHE ASN GLU TYR GLU 0.404412 0.746032
160 GLU LEU GLU LYS TRP ALA SER 0.402985 0.770492
161 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.401961 0.796296
162 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.401515 0.842105
163 VAL GLN GLN GLU SER SER PHE VAL MET 0.4 0.762712
164 GLN SER TYR TPO VAL 0.4 0.746032
Similar Ligands (3D)
Ligand no: 1; Ligand: PHE LEU SER 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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