Receptor
PDB id Resolution Class Description Source Keywords
4I7N 1.58 Å EC: 3.2.1.17 T4 LYSOZYME L99A/M102H WITH 1-PHENYL-2-PROPYN-1-OL BOUND ENTEROBACTERIA PHAGE T4 HYDROLASE
Ref.: THE IMPACT OF INTRODUCING A HISTIDINE INTO AN APOLA SITE ON DOCKING AND LIGAND RECOGNITION. J.MED.CHEM. V. 56 2874 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT B:201;
B:206;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
1DJ B:203;
A:202;
Valid;
Valid;
none;
none;
submit data
132.159 C9 H8 O C#C[C...
BME A:201;
A:208;
B:202;
A:207;
B:207;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S C(CS)...
SO4 A:206;
B:204;
B:205;
A:205;
A:203;
A:204;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
HED A:209;
Invalid;
none;
submit data
154.251 C4 H10 O2 S2 C(CSS...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EKQ 1.54 Å EC: 3.2.1.17 T4 LYSOZYME L99A/M102H WITH 4-NITROPHENOL BOUND ENTEROBACTERIA PHAGE T4 HYDROLASE ALKYLATION OF CYS97
Ref.: ENGINEERING A MODEL PROTEIN CAVITY TO CATALYZE THE ELIMINATION. PROC.NATL.ACAD.SCI.USA V. 109 16179 2012
Members (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 4I7Q - 1DQ C4 H3 F3 N2 c1c([nH]cn....
2 4EKS - 0R1 C7 H5 N O c1ccc2c(c1....
3 4I7M Ka = 13900 M^-1 2LP C9 H10 O C=CCc1cccc....
4 4I7J Kd = 480 uM BNZ C6 H6 c1ccccc1
5 4I7N - 1DJ C9 H8 O C#C[C@H](c....
6 4I7S - 1DV C5 H5 F3 N2 Cc1cc(n[nH....
7 4I7P Ka = 3155 M^-1 ES3 C3 H3 Br N2 c1c(nc[nH]....
8 4EKQ Kd = 2 uM NPO C6 H5 N O3 c1cc(ccc1[....
9 4I7L Kd = 103 uM IPH C6 H6 O c1ccc(cc1)....
10 4EKR - 0R0 C7 H5 N O c1ccc(c(c1....
11 4I7R - 1DU C5 H8 N2 O c1cnn(c1)C....
12 4I7K Kd = 905 uM MBN C7 H8 Cc1ccccc1
13 4I7T - 1DW C7 H5 Br O2 c1cc(c(cc1....
14 4EKP - NBZ C6 H5 N O2 c1ccc(cc1)....
15 4I7O - 1DH C3 H3 Cl N2 S c1c(sc(n1)....
70% Homology Family (109)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 3DN4 Ka = 51800 M^-1 PIH C6 H5 I c1ccc(cc1)....
2 1LI2 Kd = 91 uM IPH C6 H6 O c1ccc(cc1)....
3 3HH3 - B20 C4 H6 B N B1C=CC=CN1
4 4W53 Kd = 102 uM MBN C7 H8 Cc1ccccc1
5 3DMZ - HFB C6 F6 c1(c(c(c(c....
6 2OTZ Kd = 357 uM 1MR C7 H9 N CNc1ccccc1
7 1LI6 Ka = 6300 M^-1 5MP C5 H7 N Cc1cc[nH]c....
8 5G27 - MTN C10 H18 N O3 S2 CC1(C=C(C(....
9 225L - PXY C8 H10 Cc1ccc(cc1....
10 1OV5 - 2LP C9 H10 O C=CCc1cccc....
11 2RBN - 264 C8 H8 N2 c1ccc(cc1)....
12 1OV7 - LYL C10 H12 O Cc1cccc(c1....
13 2OTY Kd = 21 uM YAN C6 H4 Cl2 c1ccc(c(c1....
14 1LGX - 5AN C6 H5 F2 N c1c(cc(cc1....
15 4W54 Kd = 68 uM PYJ C8 H10 CCc1ccccc1
16 1L83 Kd = 0.4 mM BNZ C6 H6 c1ccccc1
17 3HT8 Kd = 0.12 mM JZ2 C7 H7 Cl O Cc1ccc(cc1....
18 3DNA Ka = 40900 M^-1 PIH C6 H5 I c1ccc(cc1)....
19 3HH6 - PYJ C8 H10 CCc1ccccc1
20 2RB1 - 261 C8 H10 O2 CCOc1ccccc....
21 1NHB Ka = 14800 M^-1 PYJ C8 H10 CCc1ccccc1
22 2RAY - 258 C8 H9 Cl O c1ccc(cc1)....
23 3HUA Kd = 0.278 mM JZ9 C8 H11 N c1c[nH]c2c....
24 3DN2 - BBF C6 Br F5 c1(c(c(c(c....
25 2F47 Kd = 148 mM MGX C2 H7 N3 [H]/N=C(/N....
26 2RBO - 265 C4 H3 N O2 S c1cc(sc1)[....
27 3DN0 - F5B C6 H F5 c1c(c(c(c(....
28 185L Kd = 289 uM IND C8 H7 N c1ccc2c(c1....
29 186L Kd = 14 uM N4B C10 H14 CCCCc1cccc....
30 3GUK Ka = 14100 M^-1 MBN C7 H8 Cc1ccccc1
31 5JWV Ka = 14100 M^-1 PYJ C8 H10 CCc1ccccc1
32 4W52 Kd = 175 uM BNZ C6 H6 c1ccccc1
33 1XEP - CAQ C6 H6 O2 c1ccc(c(c1....
34 3HTG - JZ7 C7 H12 O2 CCO[C@@H]1....
35 227L - BNZ C6 H6 c1ccccc1
36 3HU8 Kd = 0.79 mM 261 C8 H10 O2 CCOc1ccccc....
37 3HTF - JZ6 C3 H3 Cl N2 c1c(cn[nH]....
38 2RBP - 266 C5 H12 O S CCCSCCO
39 3HH4 - BNZ C6 H6 c1ccccc1
40 2RAZ - 259 C7 H7 N O2 S CSc1ccc(cc....
41 182L Ka = 8900 M^-1 BZF C8 H6 O c1ccc2c(c1....
42 1OVH - 2CM C7 H8 Cl N Cc1cccc(c1....
43 3HT6 Kd = 0.36 mM JZ0 C7 H8 O Cc1ccccc1O
44 5JWS Ka = 9000 M^-1 6OQ C6 H10 B N B1(C=CC=CN....
45 1L84 - BNZ C6 H6 c1ccccc1
46 3HUQ Kd = 0.25 mM J1Z C6 H4 S2 c1csc2c1sc....
47 3DMX Kd = 58.5 uM BNZ C6 H6 c1ccccc1
48 188L Kd = 469 uM OXE C8 H10 Cc1ccccc1C
49 3DN8 - IBF C6 F5 I c1(c(c(c(c....
50 3HT9 - JZ3 C7 H8 O2 COc1ccccc1....
51 4W57 Kd = 14 uM N4B C10 H14 CCCCc1cccc....
52 5JWT Ka = 18900 M^-1 BNZ C6 H6 c1ccccc1
53 3GUM Ka = 6610 M^-1 PXY C8 H10 Cc1ccc(cc1....
54 181L Ka = 5700 M^-1 BNZ C6 H6 c1ccccc1
55 3DN3 Ka = 3330 M^-1 IBF C6 F5 I c1(c(c(c(c....
56 2RBQ - 263 C8 H9 N3 Cc1cccc(c1....
57 2RB2 - 263 C8 H9 N3 Cc1cccc(c1....
58 3RUN Kd = 3.6 uM MLU OMZ ASN GHP GHP OMY 3FG BGC RER n/a n/a
59 1LI3 Kd = 56 uM 3CH C6 H5 Cl O c1cc(cc(c1....
60 2RBR - 268 C8 H10 O2 c1ccc(cc1)....
61 5JWU Ka = 87700 M^-1 B20 C4 H6 B N B1C=CC=CN1
62 3GUL Ka = 22800 M^-1 PYJ C8 H10 CCc1ccccc1
63 4W58 - 3H2 C11 H16 CCCCCc1ccc....
64 184L Ka = 51000 M^-1 I4B C10 H14 CC(C)Cc1cc....
65 3GUO Ka = 9150 M^-1 IPH C6 H6 O c1ccc(cc1)....
66 3HTD - JZ5 C5 H5 N O S c1cc(sc1)/....
67 3HTB Kd = 73.9 uM JZ4 C9 H12 O CCCc1ccccc....
68 187L Kd = 422 uM PXY C8 H10 Cc1ccc(cc1....
69 1OVJ - FLM C7 H8 F N Cc1c(cccc1....
70 4W55 Kd = 18 uM 3H0 C9 H12 CCCc1ccccc....
71 3GUJ Ka = 37200 M^-1 BNZ C6 H6 c1ccccc1
72 5LWO - RXR C10 H18 N O S2 CC1(C(=C(C....
73 3HU9 - NBE C6 H5 N O c1ccc(cc1)....
74 1LGW Kd = 100 uM 1AN C6 H6 F N c1ccc(c(c1....
75 3DN6 - F3B C6 Cl3 F3 c1(c(c(c(c....
76 2RB0 - 260 C7 H5 Br F2 c1cc(c(c(c....
77 2RBS - 269 C9 H11 Cl O c1ccc(cc1)....
78 2OU0 Kd = 592 uM MR3 C5 H7 N Cn1cccc1
79 3HH5 - B24 C6 H10 B N B1C=CC=CN1....
80 220L Kd = 0.4 mM BNZ C6 H6 c1ccccc1
81 5JDT - MTN C10 H18 N O3 S2 CC1(C=C(C(....
82 1OVK - NYL C9 H11 N C=CCNc1ccc....
83 3HUK Kd = 0.35 mM J0Z C9 H10 O2 CC(=O)OCc1....
84 4W59 - 3GZ C12 H18 CCCCCCc1cc....
85 223L Kd = 0.4 mM BNZ C6 H6 c1ccccc1
86 3GUP - 0PY C5 H5 N c1ccncc1
87 3HT7 Kd = 0.28 mM JZ1 C8 H10 O CCc1ccccc1....
88 1OWY - PRY C9 H13 N CCCc1ccccc....
89 3DN1 - BCF C6 Cl F5 c1(c(c(c(c....
90 4W56 - 3GY C10 H14 CC[C@@H](C....
91 183L Ka = 5170 M^-1 DEN C9 H8 c1ccc2c(c1....
92 2F32 Kd = 73 mM EGD C3 H9 N3 [H]/N=C(N)....
93 5JWW Ka = 20800 M^-1 6OQ C6 H10 B N B1(C=CC=CN....
94 1OWZ - 4FA C8 H9 F O c1cc(ccc1C....
95 4I7Q - 1DQ C4 H3 F3 N2 c1c([nH]cn....
96 4EKS - 0R1 C7 H5 N O c1ccc2c(c1....
97 4I7M Ka = 13900 M^-1 2LP C9 H10 O C=CCc1cccc....
98 4I7J Kd = 480 uM BNZ C6 H6 c1ccccc1
99 4I7N - 1DJ C9 H8 O C#C[C@H](c....
100 4I7S - 1DV C5 H5 F3 N2 Cc1cc(n[nH....
101 4I7P Ka = 3155 M^-1 ES3 C3 H3 Br N2 c1c(nc[nH]....
102 4EKQ Kd = 2 uM NPO C6 H5 N O3 c1cc(ccc1[....
103 4I7L Kd = 103 uM IPH C6 H6 O c1ccc(cc1)....
104 4EKR - 0R0 C7 H5 N O c1ccc(c(c1....
105 4I7R - 1DU C5 H8 N2 O c1cnn(c1)C....
106 4I7K Kd = 905 uM MBN C7 H8 Cc1ccccc1
107 4I7T - 1DW C7 H5 Br O2 c1cc(c(cc1....
108 4EKP - NBZ C6 H5 N O2 c1ccc(cc1)....
109 4I7O - 1DH C3 H3 Cl N2 S c1c(sc(n1)....
50% Homology Family (109)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3DN4 Ka = 51800 M^-1 PIH C6 H5 I c1ccc(cc1)....
2 1LI2 Kd = 91 uM IPH C6 H6 O c1ccc(cc1)....
3 3HH3 - B20 C4 H6 B N B1C=CC=CN1
4 4W53 Kd = 102 uM MBN C7 H8 Cc1ccccc1
5 3DMZ - HFB C6 F6 c1(c(c(c(c....
6 2OTZ Kd = 357 uM 1MR C7 H9 N CNc1ccccc1
7 1LI6 Ka = 6300 M^-1 5MP C5 H7 N Cc1cc[nH]c....
8 5G27 - MTN C10 H18 N O3 S2 CC1(C=C(C(....
9 225L - PXY C8 H10 Cc1ccc(cc1....
10 1OV5 - 2LP C9 H10 O C=CCc1cccc....
11 2RBN - 264 C8 H8 N2 c1ccc(cc1)....
12 1OV7 - LYL C10 H12 O Cc1cccc(c1....
13 2OTY Kd = 21 uM YAN C6 H4 Cl2 c1ccc(c(c1....
14 1LGX - 5AN C6 H5 F2 N c1c(cc(cc1....
15 4W54 Kd = 68 uM PYJ C8 H10 CCc1ccccc1
16 1L83 Kd = 0.4 mM BNZ C6 H6 c1ccccc1
17 3HT8 Kd = 0.12 mM JZ2 C7 H7 Cl O Cc1ccc(cc1....
18 3DNA Ka = 40900 M^-1 PIH C6 H5 I c1ccc(cc1)....
19 3HH6 - PYJ C8 H10 CCc1ccccc1
20 2RB1 - 261 C8 H10 O2 CCOc1ccccc....
21 1NHB Ka = 14800 M^-1 PYJ C8 H10 CCc1ccccc1
22 2RAY - 258 C8 H9 Cl O c1ccc(cc1)....
23 3HUA Kd = 0.278 mM JZ9 C8 H11 N c1c[nH]c2c....
24 3DN2 - BBF C6 Br F5 c1(c(c(c(c....
25 2F47 Kd = 148 mM MGX C2 H7 N3 [H]/N=C(/N....
26 2RBO - 265 C4 H3 N O2 S c1cc(sc1)[....
27 3DN0 - F5B C6 H F5 c1c(c(c(c(....
28 185L Kd = 289 uM IND C8 H7 N c1ccc2c(c1....
29 186L Kd = 14 uM N4B C10 H14 CCCCc1cccc....
30 3GUK Ka = 14100 M^-1 MBN C7 H8 Cc1ccccc1
31 5JWV Ka = 14100 M^-1 PYJ C8 H10 CCc1ccccc1
32 4W52 Kd = 175 uM BNZ C6 H6 c1ccccc1
33 1XEP - CAQ C6 H6 O2 c1ccc(c(c1....
34 3HTG - JZ7 C7 H12 O2 CCO[C@@H]1....
35 227L - BNZ C6 H6 c1ccccc1
36 3HU8 Kd = 0.79 mM 261 C8 H10 O2 CCOc1ccccc....
37 3HTF - JZ6 C3 H3 Cl N2 c1c(cn[nH]....
38 2RBP - 266 C5 H12 O S CCCSCCO
39 3HH4 - BNZ C6 H6 c1ccccc1
40 2RAZ - 259 C7 H7 N O2 S CSc1ccc(cc....
41 182L Ka = 8900 M^-1 BZF C8 H6 O c1ccc2c(c1....
42 1OVH - 2CM C7 H8 Cl N Cc1cccc(c1....
43 3HT6 Kd = 0.36 mM JZ0 C7 H8 O Cc1ccccc1O
44 5JWS Ka = 9000 M^-1 6OQ C6 H10 B N B1(C=CC=CN....
45 1L84 - BNZ C6 H6 c1ccccc1
46 3HUQ Kd = 0.25 mM J1Z C6 H4 S2 c1csc2c1sc....
47 3DMX Kd = 58.5 uM BNZ C6 H6 c1ccccc1
48 188L Kd = 469 uM OXE C8 H10 Cc1ccccc1C
49 3DN8 - IBF C6 F5 I c1(c(c(c(c....
50 3HT9 - JZ3 C7 H8 O2 COc1ccccc1....
51 4W57 Kd = 14 uM N4B C10 H14 CCCCc1cccc....
52 5JWT Ka = 18900 M^-1 BNZ C6 H6 c1ccccc1
53 3GUM Ka = 6610 M^-1 PXY C8 H10 Cc1ccc(cc1....
54 181L Ka = 5700 M^-1 BNZ C6 H6 c1ccccc1
55 3DN3 Ka = 3330 M^-1 IBF C6 F5 I c1(c(c(c(c....
56 2RBQ - 263 C8 H9 N3 Cc1cccc(c1....
57 2RB2 - 263 C8 H9 N3 Cc1cccc(c1....
58 3RUN Kd = 3.6 uM MLU OMZ ASN GHP GHP OMY 3FG BGC RER n/a n/a
59 1LI3 Kd = 56 uM 3CH C6 H5 Cl O c1cc(cc(c1....
60 2RBR - 268 C8 H10 O2 c1ccc(cc1)....
61 5JWU Ka = 87700 M^-1 B20 C4 H6 B N B1C=CC=CN1
62 3GUL Ka = 22800 M^-1 PYJ C8 H10 CCc1ccccc1
63 4W58 - 3H2 C11 H16 CCCCCc1ccc....
64 184L Ka = 51000 M^-1 I4B C10 H14 CC(C)Cc1cc....
65 3GUO Ka = 9150 M^-1 IPH C6 H6 O c1ccc(cc1)....
66 3HTD - JZ5 C5 H5 N O S c1cc(sc1)/....
67 3HTB Kd = 73.9 uM JZ4 C9 H12 O CCCc1ccccc....
68 187L Kd = 422 uM PXY C8 H10 Cc1ccc(cc1....
69 1OVJ - FLM C7 H8 F N Cc1c(cccc1....
70 4W55 Kd = 18 uM 3H0 C9 H12 CCCc1ccccc....
71 3GUJ Ka = 37200 M^-1 BNZ C6 H6 c1ccccc1
72 5LWO - RXR C10 H18 N O S2 CC1(C(=C(C....
73 3HU9 - NBE C6 H5 N O c1ccc(cc1)....
74 1LGW Kd = 100 uM 1AN C6 H6 F N c1ccc(c(c1....
75 3DN6 - F3B C6 Cl3 F3 c1(c(c(c(c....
76 2RB0 - 260 C7 H5 Br F2 c1cc(c(c(c....
77 2RBS - 269 C9 H11 Cl O c1ccc(cc1)....
78 2OU0 Kd = 592 uM MR3 C5 H7 N Cn1cccc1
79 3HH5 - B24 C6 H10 B N B1C=CC=CN1....
80 220L Kd = 0.4 mM BNZ C6 H6 c1ccccc1
81 5JDT - MTN C10 H18 N O3 S2 CC1(C=C(C(....
82 1OVK - NYL C9 H11 N C=CCNc1ccc....
83 3HUK Kd = 0.35 mM J0Z C9 H10 O2 CC(=O)OCc1....
84 4W59 - 3GZ C12 H18 CCCCCCc1cc....
85 223L Kd = 0.4 mM BNZ C6 H6 c1ccccc1
86 3GUP - 0PY C5 H5 N c1ccncc1
87 3HT7 Kd = 0.28 mM JZ1 C8 H10 O CCc1ccccc1....
88 1OWY - PRY C9 H13 N CCCc1ccccc....
89 3DN1 - BCF C6 Cl F5 c1(c(c(c(c....
90 4W56 - 3GY C10 H14 CC[C@@H](C....
91 183L Ka = 5170 M^-1 DEN C9 H8 c1ccc2c(c1....
92 2F32 Kd = 73 mM EGD C3 H9 N3 [H]/N=C(N)....
93 5JWW Ka = 20800 M^-1 6OQ C6 H10 B N B1(C=CC=CN....
94 1OWZ - 4FA C8 H9 F O c1cc(ccc1C....
95 4I7Q - 1DQ C4 H3 F3 N2 c1c([nH]cn....
96 4EKS - 0R1 C7 H5 N O c1ccc2c(c1....
97 4I7M Ka = 13900 M^-1 2LP C9 H10 O C=CCc1cccc....
98 4I7J Kd = 480 uM BNZ C6 H6 c1ccccc1
99 4I7N - 1DJ C9 H8 O C#C[C@H](c....
100 4I7S - 1DV C5 H5 F3 N2 Cc1cc(n[nH....
101 4I7P Ka = 3155 M^-1 ES3 C3 H3 Br N2 c1c(nc[nH]....
102 4EKQ Kd = 2 uM NPO C6 H5 N O3 c1cc(ccc1[....
103 4I7L Kd = 103 uM IPH C6 H6 O c1ccc(cc1)....
104 4EKR - 0R0 C7 H5 N O c1ccc(c(c1....
105 4I7R - 1DU C5 H8 N2 O c1cnn(c1)C....
106 4I7K Kd = 905 uM MBN C7 H8 Cc1ccccc1
107 4I7T - 1DW C7 H5 Br O2 c1cc(c(cc1....
108 4EKP - NBZ C6 H5 N O2 c1ccc(cc1)....
109 4I7O - 1DH C3 H3 Cl N2 S c1c(sc(n1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1DJ; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 1DJ 1 1
2 SS1 0.433333 0.727273
3 SS2 0.433333 0.727273
Similar Ligands (3D)
Ligand no: 1; Ligand: 1DJ; Similar ligands found: 741
No: Ligand Similarity coefficient
1 I1E 1.0000
2 MNN 1.0000
3 CFI 0.9959
4 BHO 0.9950
5 NIZ 0.9903
6 ISZ 0.9875
7 FEH 0.9857
8 MXN 0.9830
9 JZ7 0.9778
10 XBT 0.9737
11 NYL 0.9734
12 TZL 0.9726
13 BEZ 0.9707
14 271 0.9702
15 HY1 0.9701
16 BNF 0.9699
17 M6W 0.9697
18 UNU 0.9686
19 BEN 0.9685
20 NIO 0.9677
21 PEL 0.9676
22 264 0.9675
23 PEA 0.9669
24 BAM 0.9668
25 FBM 0.9667
26 268 0.9661
27 PRA 0.9661
28 NCA 0.9660
29 AC0 0.9656
30 QSC 0.9640
31 6PC 0.9638
32 N4B 0.9633
33 269 0.9631
34 SMN 0.9614
35 F9P 0.9608
36 CEE 0.9600
37 PBC 0.9596
38 NTN 0.9596
39 FAN 0.9596
40 9RW 0.9589
41 NBZ 0.9585
42 A09 0.9579
43 PZA 0.9578
44 54D 0.9572
45 MRZ 0.9570
46 AL0 0.9567
47 F05 0.9566
48 FBJ 0.9564
49 T9G 0.9560
50 258 0.9552
51 8OZ 0.9549
52 BNS 0.9548
53 HDH 0.9540
54 6M4 0.9536
55 CXF 0.9521
56 RBJ 0.9517
57 173 0.9509
58 LT1 0.9498
59 XM0 0.9495
60 4FA 0.9488
61 PZI 0.9482
62 YRL 0.9481
63 DHR 0.9471
64 NPO 0.9469
65 YCP 0.9468
66 QY9 0.9463
67 J9T 0.9457
68 M58 0.9456
69 ZBT 0.9456
70 BZX 0.9449
71 K7M 0.9449
72 SHA 0.9449
73 PHB 0.9448
74 2LP 0.9446
75 RBL 0.9445
76 OTR 0.9442
77 SYG 0.9437
78 GJZ 0.9433
79 ROR 0.9428
80 LNR 0.9427
81 IT2 0.9421
82 JBN 0.9420
83 FK8 0.9416
84 4VY 0.9412
85 GOJ 0.9405
86 FB2 0.9402
87 OAA 0.9396
88 PAB 0.9393
89 AEF 0.9392
90 069 0.9383
91 SAL 0.9381
92 PMB 0.9379
93 VGL 0.9377
94 HCI 0.9374
95 BSX 0.9373
96 SAF 0.9369
97 3OC 0.9367
98 BE2 0.9360
99 VNJ 0.9354
100 RB5 0.9354
101 XYL 0.9354
102 53C 0.9350
103 1DU 0.9346
104 RMN 0.9345
105 SD4 0.9345
106 AC6 0.9343
107 JZ4 0.9342
108 45L 0.9334
109 GAB 0.9333
110 263 0.9332
111 APG 0.9329
112 PRY 0.9327
113 3HB 0.9327
114 2PC 0.9327
115 PBA 0.9326
116 2FY 0.9325
117 HHH 0.9323
118 RSO 0.9322
119 GRO 0.9322
120 HL5 0.9321
121 261 0.9314
122 HL4 0.9313
123 9CL 0.9311
124 PAC 0.9311
125 PYJ 0.9309
126 SMV 0.9309
127 EDR 0.9307
128 MR1 0.9307
129 PBZ 0.9306
130 LDP 0.9306
131 I4B 0.9305
132 JZ5 0.9304
133 HIS 0.9303
134 B09 0.9297
135 ORN 0.9296
136 LYL 0.9294
137 2BG 0.9293
138 TZC 0.9289
139 YPN 0.9283
140 JKE 0.9279
141 P72 0.9278
142 XIY 0.9276
143 HSM 0.9274
144 NMJ 0.9271
145 3SK 0.9270
146 OVV 0.9269
147 DYA 0.9269
148 XUL 0.9269
149 B40 0.9268
150 QDK 0.9266
151 Z82 0.9265
152 3U4 0.9265
153 3NT 0.9263
154 4NC 0.9259
155 PKU 0.9258
156 92K 0.9257
157 4CS 0.9256
158 HIO 0.9252
159 GZL 0.9251
160 GLY ALA 0.9249
161 PHU 0.9248
162 SW7 0.9248
163 ES6 0.9244
164 7N0 0.9244
165 DYT 0.9244
166 ICB 0.9237
167 APY 0.9234
168 2EC 0.9233
169 3DO 0.9232
170 5M0 0.9232
171 3LR 0.9232
172 FP1 0.9230
173 TP5 0.9230
174 7MU 0.9229
175 DMV 0.9229
176 CXP 0.9227
177 B24 0.9227
178 PRO 0.9226
179 3HA 0.9226
180 6M9 0.9225
181 4HP 0.9223
182 3QM 0.9222
183 A29 0.9222
184 6FZ 0.9219
185 54G 0.9216
186 LMR 0.9216
187 BPW 0.9216
188 40E 0.9215
189 4SV 0.9215
190 ABN 0.9214
191 HBA 0.9214
192 5QY 0.9212
193 4RW 0.9212
194 SYN 0.9212
195 GLY GLY 0.9211
196 IP0 0.9210
197 3BZ 0.9209
198 XLS 0.9209
199 23J 0.9207
200 K6H 0.9205
201 TH7 0.9205
202 4VP 0.9201
203 AMC 0.9201
204 S8V 0.9201
205 FOA 0.9200
206 5RG 0.9200
207 2CK 0.9197
208 NLE 0.9196
209 RM1 0.9195
210 XCZ 0.9195
211 DBH 0.9190
212 HYA 0.9189
213 PCA 0.9188
214 AHB 0.9186
215 42J 0.9185
216 717 0.9183
217 PBN 0.9183
218 MLT 0.9182
219 URS 0.9177
220 1Y6 0.9176
221 1LN 0.9175
222 IDM 0.9174
223 ALE 0.9174
224 XDE 0.9174
225 51F 0.9173
226 RNS 0.9172
227 R9S 0.9172
228 FBA 0.9172
229 RNT 0.9170
230 GTQ 0.9169
231 TZE 0.9168
232 MUC 0.9167
233 PYC 0.9166
234 5AC 0.9166
235 Q02 0.9163
236 FBV 0.9163
237 3AB 0.9163
238 HBD 0.9163
239 AEG 0.9160
240 GLU 0.9159
241 3M0 0.9158
242 QBM 0.9157
243 2CO 0.9156
244 C21 0.9156
245 1P3 0.9154
246 AHC 0.9153
247 EHM 0.9152
248 M3H 0.9151
249 TLA 0.9150
250 5MK 0.9150
251 TAR 0.9147
252 PRS 0.9146
253 7WV 0.9146
254 51R 0.9145
255 GAG 0.9145
256 TEO 0.9144
257 FCR 0.9143
258 FBW 0.9142
259 PPT 0.9141
260 69O 0.9141
261 DOB 0.9140
262 GXY 0.9138
263 TPA 0.9138
264 SAN 0.9137
265 9TZ 0.9134
266 OK7 0.9131
267 INO 0.9130
268 1WD 0.9129
269 DAL DAL 0.9129
270 282 0.9128
271 FA0 0.9126
272 VAH 0.9125
273 AAS 0.9124
274 KTA 0.9122
275 GBD 0.9122
276 UY7 0.9121
277 DHB 0.9121
278 0RW 0.9119
279 HPP 0.9119
280 273 0.9115
281 FBS 0.9114
282 TSU 0.9114
283 TAG 0.9114
284 P9P 0.9113
285 BCU 0.9113
286 7WG 0.9113
287 HMH 0.9112
288 24B 0.9111
289 SRT 0.9110
290 60P 0.9110
291 2HO 0.9109
292 KOJ 0.9108
293 3F0 0.9108
294 T2C 0.9108
295 COI 0.9107
296 SKJ 0.9106
297 9X7 0.9105
298 3HP 0.9103
299 7Q1 0.9101
300 Q9Z 0.9101
301 15N 0.9099
302 R67 0.9098
303 2RH 0.9098
304 FQI 0.9097
305 1DQ 0.9096
306 OXQ 0.9095
307 HSO 0.9094
308 L99 0.9094
309 TFB 0.9092
310 KMT 0.9092
311 FE DB1 0.9090
312 AKG 0.9089
313 8GC 0.9086
314 5CU 0.9083
315 PPY 0.9083
316 4JM 0.9082
317 4MA 0.9082
318 R2P 0.9080
319 ASP 0.9075
320 ASC 0.9075
321 EV0 0.9074
322 JAB 0.9073
323 MYJ 0.9073
324 HBX 0.9072
325 FB1 0.9072
326 GBN 0.9071
327 4M0 0.9071
328 PHE 0.9068
329 ASN 0.9067
330 4J8 0.9065
331 0OC 0.9065
332 MET 0.9064
333 AMS 0.9064
334 MWP 0.9062
335 3SL 0.9061
336 LEU 0.9060
337 61M 0.9059
338 RUY 0.9058
339 B3U 0.9057
340 K6V 0.9056
341 AS3 0.9055
342 HHA 0.9054
343 C2A 0.9054
344 LYS 0.9051
345 DLY 0.9051
346 S2G 0.9048
347 WCE 0.9047
348 0R0 0.9045
349 K34 0.9045
350 13P 0.9039
351 4JT 0.9039
352 NBE 0.9036
353 1MR 0.9036
354 C2B 0.9035
355 H4E 0.9035
356 GVG 0.9034
357 OHP 0.9033
358 HYP 0.9033
359 3CR 0.9030
360 DEE 0.9030
361 NXA 0.9030
362 DHY 0.9029
363 FUM 0.9029
364 5RN 0.9029
365 FA1 0.9028
366 E35 0.9027
367 MS9 0.9027
368 23W 0.9027
369 DAS 0.9027
370 5H1 0.9027
371 9EW 0.9026
372 B2J 0.9025
373 RAT 0.9024
374 1PT 0.9023
375 5MB 0.9023
376 TIH 0.9022
377 Q03 0.9021
378 NSP 0.9020
379 NCT 0.9018
380 QMP 0.9016
381 BHA 0.9012
382 1DV 0.9012
383 1SA 0.9012
384 SOR 0.9012
385 HFA 0.9011
386 JZ1 0.9011
387 MES 0.9011
388 PEP 0.9011
389 PMF 0.9009
390 PY7 0.9005
391 JZ3 0.9005
392 F60 0.9005
393 4JL 0.9004
394 14O 0.9004
395 IZC 0.9002
396 RJY 0.9002
397 MZW 0.9001
398 BP9 0.9001
399 NOJ 0.8997
400 MED 0.8996
401 5GU 0.8994
402 JYD 0.8994
403 MRY 0.8993
404 CRN 0.8992
405 GLN 0.8990
406 ODO 0.8989
407 KDF 0.8988
408 ONL 0.8988
409 EKZ 0.8985
410 9RH 0.8983
411 2AL 0.8983
412 5MI 0.8982
413 PIY 0.8980
414 6AI 0.8979
415 AHR 0.8977
416 2IT 0.8976
417 GGL 0.8976
418 IHG 0.8975
419 3BU 0.8973
420 SDD 0.8973
421 NK 0.8973
422 K5W 0.8971
423 2K4 0.8971
424 8K2 0.8970
425 TYL 0.8964
426 DHK 0.8964
427 SYM 0.8963
428 BHH 0.8963
429 MAE 0.8962
430 HDA 0.8962
431 36M 0.8960
432 MEV 0.8957
433 HY3 0.8955
434 M2K 0.8954
435 DBX 0.8954
436 DTL 0.8954
437 GLL 0.8954
438 IXW 0.8953
439 HCS 0.8952
440 KIV 0.8952
441 DGN 0.8951
442 SYC 0.8951
443 HSE 0.8951
444 DHI 0.8950
445 6M1 0.8949
446 DOR 0.8948
447 2HG 0.8948
448 QUS 0.8948
449 D1X 0.8947
450 ZXD 0.8947
451 DS0 0.8947
452 0JD 0.8946
453 9R5 0.8946
454 B85 0.8942
455 SJ5 0.8941
456 JBE 0.8941
457 FPI 0.8939
458 4AA 0.8939
459 GUA 0.8938
460 SIN 0.8938
461 ILE 0.8938
462 BE7 0.8937
463 RHU 0.8935
464 ZZT 0.8934
465 TYE 0.8934
466 I38 0.8932
467 4SX 0.8929
468 G4D 0.8927
469 3AL 0.8924
470 URF 0.8923
471 ADE 0.8922
472 DPN 0.8921
473 265 0.8920
474 GLO 0.8920
475 0LH 0.8920
476 JF6 0.8920
477 PIM 0.8919
478 I2M 0.8918
479 SR1 0.8912
480 1GP 0.8911
481 WOT 0.8910
482 AOS 0.8908
483 CSS 0.8908
484 826 0.8908
485 QUZ 0.8907
486 4HM 0.8907
487 HPA 0.8906
488 HX2 0.8906
489 DGL 0.8906
490 4XR 0.8905
491 BRT 0.8905
492 FA3 0.8904
493 GLC 0.8903
494 XX2 0.8902
495 HPS 0.8902
496 G3H 0.8901
497 G3P 0.8901
498 IFP 0.8901
499 8ZE 0.8900
500 34D 0.8899
501 286 0.8898
502 OHG 0.8897
503 PEQ 0.8897
504 JLZ 0.8895
505 BVC 0.8895
506 HVQ 0.8895
507 GZQ 0.8893
508 ASO 0.8891
509 ABV 0.8887
510 EOL 0.8887
511 2FT 0.8887
512 KDG 0.8886
513 M74 0.8885
514 GRE 0.8885
515 TIU 0.8884
516 AFR 0.8884
517 GYE 0.8883
518 0V5 0.8883
519 2PG 0.8881
520 OGA 0.8881
521 JZ9 0.8881
522 NDH 0.8879
523 PGH 0.8878
524 KP6 0.8878
525 6F0 0.8878
526 ITN 0.8875
527 9YL 0.8875
528 HMU 0.8874
529 M4T 0.8874
530 IOM 0.8874
531 3C4 0.8874
532 AG2 0.8873
533 NPY 0.8869
534 HA7 0.8869
535 44V 0.8868
536 QBS 0.8867
537 SVD 0.8867
538 L5V 0.8863
539 ZGL 0.8863
540 GP9 0.8863
541 F31 0.8861
542 HF2 0.8859
543 IPB 0.8858
544 R9M 0.8857
545 N6C 0.8856
546 MEQ 0.8856
547 TTL 0.8853
548 DFB 0.8852
549 24W 0.8848
550 5HN 0.8845
551 7QS 0.8845
552 FUD 0.8845
553 PSJ 0.8845
554 NVU 0.8844
555 SWA 0.8841
556 X0V 0.8841
557 DGJ 0.8840
558 G2F 0.8839
559 3YP 0.8838
560 TSS 0.8837
561 OXZ 0.8836
562 3XX 0.8833
563 6LW 0.8833
564 OMD 0.8831
565 791 0.8831
566 GAL 0.8831
567 SPV 0.8830
568 ZZ3 0.8830
569 174 0.8829
570 MSE 0.8828
571 DHS 0.8826
572 CP 0.8825
573 H95 0.8824
574 4PN 0.8820
575 4FH 0.8818
576 3FH 0.8816
577 SOE 0.8816
578 PBE 0.8814
579 DIU 0.8813
580 3IT 0.8813
581 SC2 0.8813
582 LDU 0.8813
583 3PG 0.8810
584 O7U 0.8810
585 DE5 0.8807
586 IF7 0.8807
587 DEN 0.8805
588 2EZ 0.8804
589 2AS 0.8803
590 A3M 0.8802
591 SX1 0.8801
592 1AB 0.8798
593 EGR 0.8797
594 HQ9 0.8796
595 1L5 0.8796
596 449 0.8794
597 IPZ 0.8794
598 ICF 0.8793
599 PGA 0.8791
600 SME 0.8789
601 CTL 0.8788
602 NOY 0.8787
603 LZ1 0.8786
604 PH3 0.8786
605 AX7 0.8785
606 IND 0.8782
607 IFM 0.8781
608 MZ0 0.8781
609 C2U 0.8780
610 GZ3 0.8779
611 RIB 0.8779
612 CFA 0.8777
613 SNE 0.8777
614 Q6T 0.8775
615 AGK 0.8771
616 TT4 0.8771
617 PYF 0.8770
618 BDP 0.8769
619 S24 0.8767
620 KYD 0.8767
621 SOL 0.8766
622 A13 0.8766
623 LCN 0.8762
624 J9N 0.8761
625 LRH 0.8761
626 PAH 0.8761
627 R2B 0.8758
628 0R1 0.8757
629 CMS 0.8754
630 G8M 0.8754
631 IFL 0.8754
632 BZI 0.8754
633 G2H 0.8753
634 8S0 0.8753
635 URP 0.8753
636 AC5 0.8752
637 FBT 0.8750
638 270 0.8749
639 FRU 0.8749
640 SEP 0.8749
641 MPI 0.8747
642 MLE 0.8745
643 J9Q 0.8744
644 ZZZ 0.8744
645 F4E 0.8743
646 2TQ 0.8741
647 N2Z 0.8739
648 GIF 0.8737
649 HA5 0.8737
650 GVH 0.8737
651 EDG 0.8735
652 1XA 0.8732
653 5XB 0.8730
654 4JP 0.8730
655 6OT 0.8727
656 AAE 0.8724
657 4P0 0.8722
658 FBU 0.8720
659 EYK 0.8720
660 CTS 0.8720
661 BDF 0.8718
662 2F6 0.8716
663 0CT 0.8715
664 FSG 0.8714
665 BZF 0.8713
666 MLA 0.8712
667 1WC 0.8708
668 DCL 0.8708
669 P92 0.8707
670 2MI 0.8702
671 4Z4 0.8702
672 AZF 0.8697
673 PZM 0.8696
674 3HG 0.8694
675 2LY 0.8691
676 1A7 0.8690
677 C2Y 0.8690
678 MQB 0.8690
679 IAC 0.8689
680 SKM 0.8689
681 3V4 0.8688
682 MLI 0.8688
683 LLQ 0.8686
684 278 0.8685
685 82I 0.8685
686 4MV 0.8684
687 KBB 0.8684
688 52C 0.8684
689 KMH 0.8682
690 3HM 0.8680
691 6ME 0.8680
692 HPV 0.8678
693 7VD 0.8676
694 MJ2 0.8675
695 M5E 0.8674
696 UGC 0.8674
697 7VP 0.8670
698 7CZ 0.8668
699 42C 0.8667
700 BVG 0.8667
701 ES0 0.8666
702 GTR 0.8664
703 R20 0.8660
704 EN1 0.8657
705 LNO 0.8655
706 AKH 0.8652
707 MNM 0.8652
708 2CL 0.8652
709 TYR 0.8652
710 DMJ 0.8651
711 QIC 0.8651
712 R1X 0.8644
713 IQ0 0.8640
714 ADA 0.8640
715 4XV 0.8630
716 C5J 0.8626
717 FOT 0.8618
718 260 0.8611
719 H76 0.8608
720 XYS 0.8606
721 DHC 0.8606
722 4ME 0.8604
723 FPK 0.8598
724 KJM 0.8596
725 A9P 0.8594
726 S0H 0.8591
727 ABU 0.8589
728 HXX 0.8588
729 RLG 0.8581
730 PAE 0.8580
731 IJZ 0.8580
732 2ZV 0.8579
733 2XX 0.8579
734 2H5 0.8574
735 AMH 0.8574
736 GWM 0.8570
737 IPU 0.8566
738 GLA 0.8566
739 DTU 0.8562
740 9BF 0.8556
741 46P 0.8540
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EKQ; Ligand: NPO; 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: 4ekq.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4EKQ; Ligand: NPO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4ekq.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4EKQ; Ligand: NPO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4ekq.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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