Receptor
PDB id Resolution Class Description Source Keywords
4I7Q 1.58 Å EC: 3.2.1.17 T4 LYSOZYME L99A/M102H WITH 4-TRIFLUOROMETHYLIMIDAZOLE 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
BME A:210;
A:201;
B:206;
B:201;
A:211;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S C(CS)...
SO4 A:207;
A:206;
B:203;
B:204;
A:208;
A:205;
A:203;
A:204;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
1DQ B:202;
A:202;
Valid;
Valid;
none;
none;
submit data
136.075 C4 H3 F3 N2 c1c([...
HED A:212;
Invalid;
none;
submit data
154.251 C4 H10 O2 S2 C(CSS...
ACT A:209;
B:205;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
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: 1DQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1DQ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 1DQ; Similar ligands found: 648
No: Ligand Similarity coefficient
1 1DV 0.9740
2 FOA 0.9729
3 PRO 0.9686
4 PMB 0.9645
5 PYC 0.9619
6 FB2 0.9563
7 JBN 0.9562
8 2PC 0.9547
9 CP 0.9540
10 BAM 0.9537
11 DPR 0.9527
12 1DU 0.9526
13 BEN 0.9521
14 TFB 0.9518
15 TZC 0.9500
16 BEZ 0.9497
17 S0H 0.9493
18 NCA 0.9490
19 6PC 0.9486
20 NIO 0.9483
21 FLA 0.9477
22 C21 0.9471
23 TP5 0.9470
24 NBZ 0.9464
25 PZA 0.9461
26 SS2 0.9461
27 273 0.9460
28 265 0.9456
29 SAT 0.9449
30 NTN 0.9437
31 PRS 0.9435
32 ZBT 0.9431
33 TZL 0.9431
34 LLQ 0.9430
35 WOT 0.9430
36 FEH 0.9423
37 PAE 0.9415
38 MPD 0.9415
39 UY7 0.9408
40 HYP 0.9408
41 VGL 0.9405
42 YCP 0.9401
43 KPL 0.9399
44 XBT 0.9398
45 RHU 0.9393
46 SS1 0.9390
47 OAA 0.9388
48 PPV 0.9385
49 QSC 0.9383
50 PCT 0.9377
51 MAE 0.9373
52 MZ0 0.9372
53 5AC 0.9370
54 HSM 0.9369
55 XM0 0.9367
56 PCA 0.9367
57 M58 0.9365
58 ASN 0.9360
59 GAG 0.9358
60 OXQ 0.9357
61 0CT 0.9344
62 UNU 0.9342
63 SMV 0.9336
64 COI 0.9333
65 JAB 0.9332
66 IZC 0.9331
67 T2C 0.9327
68 IQ0 0.9324
69 BE7 0.9323
70 3SL 0.9322
71 TB6 0.9319
72 7VD 0.9317
73 40E 0.9311
74 AC0 0.9311
75 RSO 0.9310
76 MLI 0.9310
77 A09 0.9309
78 BZF 0.9307
79 BAE 0.9306
80 282 0.9305
81 JZ5 0.9304
82 UYA 0.9304
83 ISZ 0.9301
84 MRZ 0.9297
85 PZI 0.9296
86 JZ7 0.9296
87 HZP 0.9295
88 GG6 0.9294
89 OPE 0.9287
90 LZ1 0.9286
91 BZI 0.9284
92 RSF 0.9281
93 CFI 0.9280
94 THE 0.9278
95 JZ9 0.9276
96 FBJ 0.9272
97 GVH 0.9270
98 IND 0.9268
99 AC5 0.9267
100 APY 0.9267
101 MLA 0.9265
102 6M4 0.9265
103 MPI 0.9264
104 ODV 0.9264
105 0R1 0.9260
106 4JP 0.9260
107 PEP 0.9258
108 DEN 0.9249
109 PBC 0.9249
110 PIS 0.9241
111 MXN 0.9240
112 PGA 0.9239
113 IDM 0.9238
114 BVG 0.9232
115 BNS 0.9231
116 J1Z 0.9230
117 SIN 0.9229
118 0V5 0.9227
119 PEQ 0.9227
120 TEO 0.9225
121 MLT 0.9225
122 2RH 0.9225
123 GBD 0.9225
124 8K2 0.9222
125 CRN 0.9216
126 51R 0.9215
127 HY3 0.9214
128 I1E 0.9212
129 14J 0.9212
130 C5J 0.9211
131 3PY 0.9209
132 IHG 0.9209
133 SPA 0.9208
134 TSU 0.9207
135 HSO 0.9201
136 M6W 0.9200
137 CIZ 0.9197
138 IT2 0.9193
139 7WG 0.9190
140 RMN 0.9189
141 FCN 0.9189
142 PAH 0.9189
143 FCR 0.9187
144 FB1 0.9182
145 SPV 0.9182
146 RM1 0.9182
147 G3H 0.9182
148 G3P 0.9182
149 3HR 0.9179
150 SYN 0.9175
151 AAE 0.9175
152 60P 0.9174
153 GZ3 0.9174
154 NXA 0.9173
155 271 0.9172
156 MLM 0.9172
157 QY9 0.9171
158 ICF 0.9169
159 XCZ 0.9167
160 ITN 0.9167
161 51F 0.9166
162 NMG 0.9165
163 JYD 0.9163
164 X1S 0.9162
165 FBV 0.9158
166 POP 0.9158
167 1SA 0.9157
168 ASP 0.9156
169 CHT 0.9150
170 HDA 0.9149
171 ABN 0.9148
172 HBX 0.9146
173 3HL 0.9145
174 DMV 0.9144
175 54D 0.9141
176 AAS 0.9141
177 NVI 0.9138
178 DMG 0.9138
179 PPR 0.9133
180 G2H 0.9132
181 13P 0.9132
182 4MV 0.9129
183 PAF 0.9125
184 KIV 0.9123
185 CMS 0.9122
186 PY7 0.9121
187 HY1 0.9116
188 LMR 0.9116
189 2EZ 0.9113
190 0RW 0.9112
191 TLA 0.9110
192 BHO 0.9109
193 HIO 0.9108
194 SAN 0.9106
195 4SV 0.9105
196 3U4 0.9102
197 PBE 0.9102
198 ALO 0.9101
199 NBE 0.9097
200 1DJ 0.9096
201 IVA 0.9093
202 NPO 0.9092
203 PYF 0.9088
204 NMJ 0.9085
205 SAL 0.9081
206 TAR 0.9081
207 9EW 0.9081
208 1WD 0.9078
209 SRT 0.9077
210 DAS 0.9075
211 F60 0.9075
212 PEL 0.9075
213 I2M 0.9073
214 1MR 0.9071
215 THR 0.9070
216 3PP 0.9069
217 MRY 0.9067
218 L3Q 0.9065
219 3SK 0.9064
220 BE2 0.9062
221 EKZ 0.9062
222 1GP 0.9061
223 4CS 0.9061
224 PRI 0.9060
225 6M9 0.9060
226 2AS 0.9058
227 7N0 0.9056
228 BZX 0.9056
229 PYJ 0.9054
230 PPF 0.9052
231 HSE 0.9051
232 SMN 0.9051
233 LER 0.9051
234 280 0.9051
235 MNN 0.9049
236 AHB 0.9049
237 AMC 0.9047
238 5H1 0.9047
239 H95 0.9045
240 FUM 0.9044
241 OK7 0.9043
242 QUZ 0.9043
243 PEA 0.9042
244 MAK 0.9042
245 IOM 0.9042
246 7WV 0.9042
247 GRO 0.9038
248 JKE 0.9036
249 Z82 0.9036
250 0OC 0.9035
251 2CK 0.9034
252 GLU 0.9033
253 HX2 0.9032
254 DTL 0.9032
255 FBW 0.9031
256 R67 0.9031
257 XLS 0.9030
258 LDU 0.9028
259 3NT 0.9027
260 ES6 0.9027
261 2K4 0.9027
262 URQ 0.9026
263 AKB 0.9026
264 FPY 0.9021
265 UGC 0.9020
266 RB5 0.9019
267 PAC 0.9016
268 F05 0.9014
269 6AI 0.9014
270 B24 0.9014
271 P2D 0.9014
272 OHG 0.9011
273 EDR 0.9010
274 192 0.9010
275 HVQ 0.9008
276 14O 0.9008
277 2KT 0.9006
278 5MB 0.9005
279 9RW 0.9002
280 HIS 0.9002
281 FQI 0.9001
282 SVN 0.8999
283 5MI 0.8994
284 VNJ 0.8994
285 2PN 0.8993
286 NIZ 0.8992
287 VAL 0.8990
288 A20 0.8989
289 ACH 0.8987
290 9X6 0.8987
291 O7U 0.8982
292 JBE 0.8981
293 4JU 0.8980
294 2MH 0.8980
295 1PT 0.8976
296 PHB 0.8976
297 FBS 0.8974
298 270 0.8970
299 AX7 0.8970
300 BVC 0.8970
301 DCL 0.8969
302 FSG 0.8965
303 ES9 0.8965
304 TPA 0.8964
305 DS0 0.8964
306 11S 0.8962
307 FPI 0.8958
308 FAN 0.8958
309 8GC 0.8957
310 SER 0.8957
311 HCS 0.8952
312 APG 0.8952
313 IP0 0.8949
314 LEU 0.8948
315 NPY 0.8947
316 CXF 0.8947
317 XUL 0.8945
318 4J8 0.8944
319 2MI 0.8944
320 ABE 0.8944
321 URP 0.8942
322 H4N 0.8941
323 GP9 0.8940
324 CEE 0.8940
325 9X7 0.8938
326 IFM 0.8937
327 ILE 0.8935
328 R2B 0.8935
329 8NY 0.8933
330 SVD 0.8931
331 7HP 0.8930
332 PLQ 0.8930
333 9CL 0.8930
334 SNE 0.8926
335 FBM 0.8925
336 FA1 0.8925
337 TAU 0.8921
338 GLL 0.8921
339 5HN 0.8920
340 FK1 0.8919
341 P92 0.8916
342 173 0.8916
343 DYA 0.8913
344 FAC 0.8913
345 1AC 0.8912
346 HPA 0.8911
347 HLR 0.8909
348 3HB 0.8908
349 9DA 0.8908
350 23B 0.8908
351 GAB 0.8907
352 AC6 0.8907
353 3OC 0.8906
354 1P3 0.8904
355 HPY 0.8901
356 HBA 0.8901
357 RNS 0.8901
358 DGY 0.8901
359 IFP 0.8900
360 KKN 0.8900
361 PAB 0.8899
362 GJZ 0.8898
363 URF 0.8898
364 TZE 0.8897
365 RIB 0.8895
366 KYD 0.8895
367 XPO 0.8892
368 23W 0.8888
369 ADE 0.8888
370 6MP 0.8885
371 PKU 0.8884
372 3AB 0.8883
373 6HQ 0.8883
374 SSN 0.8881
375 9YL 0.8878
376 KG7 0.8874
377 3FH 0.8874
378 ABU 0.8874
379 53C 0.8871
380 RBL 0.8869
381 10L 0.8869
382 BRT 0.8866
383 TDR 0.8865
384 ABV 0.8864
385 DSN 0.8860
386 RUU 0.8860
387 AHR 0.8858
388 AKG 0.8857
389 3V4 0.8856
390 ES4 0.8856
391 PM6 0.8854
392 DXX 0.8851
393 8OZ 0.8850
394 WBU 0.8849
395 64K 0.8849
396 3BZ 0.8848
397 HQE 0.8845
398 OVV 0.8844
399 9HX 0.8843
400 RIP 0.8842
401 1Y6 0.8842
402 F9P 0.8842
403 DA1 0.8838
404 MCT 0.8838
405 WCE 0.8837
406 A13 0.8835
407 BP1 0.8835
408 GLN 0.8831
409 A2Q 0.8831
410 2PG 0.8830
411 HIU 0.8829
412 98J 0.8829
413 K6H 0.8828
414 SWD 0.8827
415 174 0.8825
416 7WA 0.8817
417 1MC 0.8815
418 MWM 0.8815
419 NK 0.8815
420 X0V 0.8814
421 278 0.8814
422 TH0 0.8814
423 PCR 0.8814
424 EFS 0.8813
425 GUA 0.8813
426 XYP 0.8812
427 JAE 0.8810
428 P72 0.8808
429 1LN 0.8806
430 PBZ 0.8806
431 MUC 0.8805
432 ARA 0.8805
433 PTO 0.8805
434 H3M 0.8803
435 CYS 0.8802
436 1AB 0.8802
437 HBD 0.8802
438 4MA 0.8800
439 3ID 0.8799
440 8X3 0.8799
441 K34 0.8798
442 BP9 0.8797
443 GYE 0.8797
444 3ZQ 0.8795
445 XYS 0.8792
446 BTL 0.8792
447 FPN 0.8792
448 DBX 0.8792
449 SW7 0.8789
450 826 0.8788
451 2TQ 0.8788
452 4HO 0.8787
453 K5W 0.8786
454 2HE 0.8785
455 R8A 0.8784
456 4XR 0.8783
457 DUC 0.8783
458 MZW 0.8782
459 4ZE 0.8780
460 YHO 0.8777
461 TFS 0.8775
462 DBB 0.8768
463 V1L 0.8765
464 M1A 0.8763
465 EDG 0.8762
466 1WG 0.8762
467 DMD 0.8761
468 IPU 0.8761
469 SYG 0.8760
470 ARB 0.8760
471 LG4 0.8759
472 25R 0.8757
473 URA 0.8755
474 2CO 0.8754
475 2IM 0.8751
476 FUL 0.8751
477 CEJ 0.8751
478 5WV 0.8751
479 T9G 0.8750
480 MDN 0.8748
481 5UC 0.8748
482 HYN 0.8746
483 4JL 0.8745
484 275 0.8744
485 CAQ 0.8743
486 LNO 0.8741
487 ICP 0.8741
488 ES7 0.8741
489 7W4 0.8740
490 FBA 0.8740
491 0TR 0.8740
492 RCO 0.8739
493 0MK 0.8737
494 286 0.8737
495 HHA 0.8736
496 FBT 0.8736
497 2CQ 0.8736
498 40O 0.8735
499 3Q7 0.8734
500 4FH 0.8732
501 TH7 0.8729
502 QWN 0.8729
503 ISN 0.8728
504 TNE 0.8726
505 CSS 0.8722
506 5B1 0.8721
507 POA 0.8720
508 PXY 0.8720
509 4VP 0.8719
510 5MH 0.8719
511 VX 0.8719
512 SEJ 0.8717
513 2AC 0.8715
514 HRZ 0.8715
515 1P7 0.8712
516 150 0.8710
517 MWP 0.8707
518 XBZ 0.8706
519 P7I 0.8702
520 HDH 0.8701
521 JZ1 0.8701
522 LXC 0.8701
523 CXL 0.8700
524 CYH 0.8700
525 7B4 0.8700
526 EYK 0.8699
527 ECE 0.8699
528 XQ0 0.8696
529 HH5 0.8695
530 4NC 0.8692
531 KOJ 0.8691
532 1SQ 0.8691
533 COM 0.8690
534 LG3 0.8690
535 3CH 0.8689
536 9TY 0.8686
537 ADZ 0.8686
538 CYT 0.8685
539 HH8 0.8684
540 IDH 0.8684
541 XYD 0.8682
542 3AP 0.8681
543 IPH 0.8680
544 DFU 0.8678
545 EQT 0.8677
546 34A 0.8677
547 C2N 0.8677
548 2AP 0.8675
549 9PO 0.8674
550 SJ5 0.8674
551 HT4 0.8673
552 DBH 0.8672
553 2YU 0.8672
554 A1U 0.8670
555 URS 0.8669
556 3M0 0.8668
557 4CH 0.8666
558 7EX 0.8665
559 717 0.8664
560 ICC 0.8663
561 26D 0.8663
562 OXE 0.8663
563 9RH 0.8661
564 4AP 0.8660
565 H42 0.8658
566 3HA 0.8657
567 284 0.8656
568 BUA 0.8654
569 JB5 0.8654
570 67N 0.8653
571 CRS 0.8652
572 3F0 0.8650
573 COU 0.8649
574 1LQ 0.8649
575 QXW 0.8648
576 MBN 0.8648
577 24B 0.8647
578 5IQ 0.8647
579 TM7 0.8646
580 BVF 0.8645
581 4XH 0.8645
582 7CZ 0.8642
583 ABA 0.8642
584 JZ3 0.8641
585 Q88 0.8640
586 PHU 0.8639
587 4CL 0.8639
588 BML 0.8639
589 BEW 0.8638
590 1SH 0.8638
591 IUR 0.8637
592 TAY 0.8636
593 TMH 0.8634
594 HVK 0.8634
595 MZG 0.8632
596 2ZV 0.8632
597 HV2 0.8630
598 XIX 0.8630
599 C2A 0.8629
600 N5J 0.8628
601 L89 0.8628
602 1AN 0.8626
603 5VM 0.8625
604 HMH 0.8623
605 LGA 0.8622
606 DHB 0.8619
607 5JC 0.8619
608 4HS 0.8618
609 GRE 0.8618
610 4YS 0.8615
611 LG5 0.8614
612 8LG 0.8613
613 92Z 0.8613
614 M4T 0.8611
615 FMS 0.8610
616 A2F 0.8608
617 23J 0.8605
618 4JJ 0.8603
619 SC2 0.8600
620 FJO 0.8600
621 JBK 0.8598
622 2RA 0.8598
623 DX4 0.8598
624 5Q0 0.8593
625 BU4 0.8591
626 1NP 0.8591
627 4JN 0.8590
628 XRG 0.8585
629 DOR 0.8583
630 GUN 0.8582
631 4P5 0.8581
632 5NU 0.8577
633 I3A 0.8571
634 ETM 0.8567
635 9DG 0.8566
636 ORO 0.8556
637 1P8 0.8549
638 24T 0.8546
639 O72 0.8545
640 ES0 0.8543
641 93Q 0.8542
642 P9P 0.8541
643 F4Z 0.8532
644 JZ0 0.8531
645 5RG 0.8529
646 7MU 0.8522
647 76X 0.8521
648 MWJ 0.8512
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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