Receptor
PDB id Resolution Class Description Source Keywords
4I7S 1.69 Å EC: 3.2.1.17 T4 LYSOZYME L99A/M102H WITH 3-TRIFLUOROMETHYL-5-METHYL PYRAZ 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
1DV A:202;
B:202;
Valid;
Valid;
none;
none;
submit data
150.102 C5 H5 F3 N2 Cc1cc...
HED A:208;
Invalid;
none;
submit data
154.251 C4 H10 O2 S2 C(CSS...
ACT B:206;
B:207;
A:207;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
BME A:201;
B:201;
Invalid;
Invalid;
none;
none;
submit data
78.133 C2 H6 O S C(CS)...
SO4 B:205;
A:206;
B:203;
A:205;
A:203;
B:204;
A:204;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
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
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: 1DV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1DV 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 1DV; Similar ligands found: 879
No: Ligand Similarity coefficient
1 1SA 0.9802
2 1DQ 0.9740
3 PMB 0.9667
4 TSU 0.9652
5 8K2 0.9577
6 FB2 0.9574
7 SAN 0.9572
8 FCR 0.9564
9 RHU 0.9554
10 AAS 0.9544
11 14J 0.9539
12 PCA 0.9504
13 OAA 0.9502
14 PEP 0.9458
15 7WG 0.9450
16 FBS 0.9450
17 3SL 0.9446
18 4J8 0.9443
19 NPO 0.9438
20 NTN 0.9419
21 BEN 0.9414
22 XCZ 0.9413
23 PZI 0.9406
24 FQI 0.9402
25 WOT 0.9400
26 NIO 0.9394
27 BAM 0.9394
28 NCA 0.9390
29 51R 0.9389
30 MLT 0.9389
31 VGL 0.9380
32 BEZ 0.9379
33 PRO 0.9372
34 PHB 0.9364
35 FOA 0.9352
36 PGA 0.9338
37 FBW 0.9336
38 11S 0.9327
39 RSO 0.9325
40 PAB 0.9321
41 NMJ 0.9319
42 FBV 0.9319
43 6PC 0.9313
44 TLA 0.9311
45 SS1 0.9310
46 EKZ 0.9309
47 FB1 0.9308
48 TEO 0.9307
49 X0V 0.9306
50 Z82 0.9303
51 6AI 0.9301
52 2K4 0.9299
53 GAB 0.9295
54 PZA 0.9294
55 TP5 0.9290
56 ISZ 0.9290
57 G2H 0.9290
58 5MB 0.9289
59 YCP 0.9288
60 F60 0.9286
61 6M4 0.9283
62 QSC 0.9281
63 A09 0.9280
64 FEH 0.9278
65 SS2 0.9278
66 IFP 0.9273
67 AMS 0.9272
68 XM0 0.9269
69 PBC 0.9269
70 G3P 0.9268
71 14O 0.9267
72 NBZ 0.9267
73 5H1 0.9266
74 5MI 0.9264
75 FBJ 0.9263
76 4MA 0.9263
77 7N0 0.9262
78 PYC 0.9262
79 PEQ 0.9262
80 JAE 0.9262
81 ES9 0.9262
82 4CS 0.9255
83 P72 0.9252
84 CFI 0.9252
85 HYP 0.9251
86 TZC 0.9251
87 AC0 0.9249
88 ASP 0.9249
89 H4N 0.9243
90 1Y6 0.9242
91 FK1 0.9239
92 UNU 0.9237
93 BZX 0.9235
94 0V5 0.9233
95 EDR 0.9232
96 PKU 0.9231
97 3OC 0.9231
98 PPR 0.9229
99 LLQ 0.9221
100 LTL 0.9220
101 DS0 0.9220
102 2PC 0.9214
103 UY7 0.9214
104 SPV 0.9213
105 BNS 0.9211
106 GP9 0.9210
107 3NT 0.9209
108 JBN 0.9209
109 HBD 0.9204
110 M58 0.9204
111 53C 0.9204
112 HIO 0.9201
113 SVD 0.9199
114 PBZ 0.9198
115 BE7 0.9191
116 PRS 0.9191
117 C21 0.9190
118 ASN 0.9188
119 8NY 0.9187
120 OVV 0.9183
121 TPA 0.9183
122 13P 0.9182
123 RMN 0.9181
124 273 0.9180
125 GZ3 0.9177
126 4FH 0.9176
127 8GC 0.9175
128 LMR 0.9175
129 3HB 0.9174
130 COI 0.9173
131 AC6 0.9172
132 MR1 0.9167
133 XBT 0.9166
134 OHG 0.9165
135 FUM 0.9165
136 BP9 0.9163
137 174 0.9163
138 URP 0.9162
139 3AB 0.9162
140 R67 0.9162
141 5HN 0.9161
142 SPA 0.9161
143 PGH 0.9161
144 BHO 0.9156
145 HX2 0.9156
146 1DU 0.9155
147 1GP 0.9155
148 RNS 0.9152
149 40E 0.9151
150 JZ7 0.9146
151 PAH 0.9143
152 QY9 0.9141
153 BZ3 0.9141
154 UGC 0.9140
155 GUA 0.9140
156 BRT 0.9139
157 5AC 0.9139
158 XYL 0.9138
159 RB5 0.9138
160 SMN 0.9137
161 OPE 0.9136
162 WCE 0.9134
163 G3H 0.9132
164 3BZ 0.9127
165 SIN 0.9125
166 1P3 0.9123
167 XUL 0.9123
168 K6H 0.9121
169 717 0.9120
170 XLS 0.9118
171 265 0.9116
172 DBX 0.9114
173 IZC 0.9111
174 H42 0.9110
175 54D 0.9110
176 SW7 0.9109
177 ICF 0.9108
178 3FH 0.9107
179 4FS 0.9106
180 PAC 0.9105
181 NIZ 0.9103
182 DYA 0.9100
183 RNT 0.9098
184 TFB 0.9097
185 MXN 0.9097
186 HY3 0.9096
187 GAG 0.9095
188 HDH 0.9093
189 1P7 0.9090
190 OTR 0.9090
191 5OB 0.9090
192 AX7 0.9088
193 270 0.9088
194 5B1 0.9086
195 K5W 0.9086
196 826 0.9085
197 TB6 0.9085
198 COU 0.9083
199 CP 0.9083
200 HBA 0.9082
201 2RH 0.9082
202 2PG 0.9082
203 173 0.9081
204 HY1 0.9078
205 3U4 0.9076
206 GRO 0.9075
207 ES5 0.9072
208 4P5 0.9071
209 JZ5 0.9069
210 ZBT 0.9067
211 TZL 0.9067
212 FA0 0.9065
213 I1E 0.9061
214 FA1 0.9060
215 03V 0.9060
216 MRZ 0.9060
217 1SH 0.9059
218 AL0 0.9058
219 E5X 0.9058
220 6M9 0.9057
221 MUC 0.9057
222 PSE 0.9053
223 2AQ 0.9053
224 OXQ 0.9053
225 2MI 0.9052
226 DEN 0.9050
227 MZW 0.9050
228 HPS 0.9049
229 SRT 0.9049
230 F05 0.9048
231 4NC 0.9048
232 0RW 0.9046
233 OKG 0.9043
234 LZ1 0.9042
235 I3A 0.9041
236 OK7 0.9041
237 FOC 0.9040
238 IXW 0.9039
239 P92 0.9038
240 HSM 0.9036
241 0CT 0.9034
242 IND 0.9033
243 MAE 0.9032
244 ODV 0.9031
245 2AL 0.9029
246 3V4 0.9029
247 9EW 0.9029
248 IHG 0.9026
249 L3Q 0.9024
250 GVH 0.9023
251 CLW 0.9022
252 NXA 0.9021
253 RM1 0.9021
254 SNE 0.9021
255 36R 0.9020
256 4SV 0.9020
257 BE2 0.9019
258 QMP 0.9019
259 MNN 0.9019
260 GLU 0.9019
261 ET2 0.9019
262 AHB 0.9018
263 DAS 0.9018
264 URQ 0.9018
265 SAL 0.9017
266 0R1 0.9017
267 ABV 0.9017
268 BZF 0.9016
269 I4B 0.9015
270 A13 0.9014
271 1DJ 0.9012
272 TAR 0.9011
273 QUZ 0.9009
274 BZI 0.9009
275 3SK 0.9009
276 SMV 0.9008
277 MPI 0.9008
278 MWP 0.9006
279 GLN 0.9005
280 IDM 0.9005
281 IT2 0.9005
282 HIS 0.9005
283 EYK 0.9003
284 GUN 0.9002
285 JAB 0.9001
286 TIU 0.9000
287 5CU 0.8999
288 GJZ 0.8999
289 8OZ 0.8999
290 5WV 0.8999
291 GBD 0.8999
292 KOJ 0.8998
293 F9P 0.8998
294 7W4 0.8995
295 IP0 0.8994
296 271 0.8993
297 T2C 0.8992
298 AKG 0.8991
299 IOM 0.8989
300 CRN 0.8989
301 ASC 0.8989
302 60P 0.8988
303 PHU 0.8987
304 FBM 0.8986
305 3AL 0.8982
306 NMG 0.8982
307 BAE 0.8981
308 THE 0.8980
309 282 0.8979
310 DMD 0.8979
311 X1S 0.8979
312 GLL 0.8978
313 XQ0 0.8978
314 DHB 0.8978
315 HDA 0.8978
316 ES6 0.8977
317 2AS 0.8976
318 4SX 0.8976
319 OCH 0.8976
320 152 0.8974
321 7HQ 0.8973
322 VNJ 0.8972
323 51F 0.8971
324 QXW 0.8970
325 ES2 0.8969
326 MPD 0.8969
327 JBE 0.8969
328 AZA 0.8969
329 5NU 0.8968
330 AHR 0.8967
331 JKE 0.8967
332 DOB 0.8965
333 FAN 0.8965
334 RSF 0.8964
335 JZ9 0.8962
336 4VP 0.8961
337 PLU 0.8960
338 5XC 0.8960
339 2HG 0.8959
340 3ID 0.8959
341 AZG 0.8957
342 1WD 0.8957
343 3MB 0.8955
344 7WV 0.8955
345 APG 0.8954
346 KBB 0.8954
347 KVP 0.8953
348 HMU 0.8953
349 7MU 0.8952
350 RBL 0.8951
351 APY 0.8950
352 DHS 0.8949
353 F9Y 0.8947
354 S0H 0.8946
355 OVM 0.8945
356 5VM 0.8945
357 K7M 0.8944
358 4M0 0.8943
359 AC5 0.8942
360 HSO 0.8941
361 MEV 0.8941
362 PAE 0.8941
363 ITN 0.8940
364 XAN 0.8939
365 3M0 0.8939
366 MYJ 0.8938
367 XRG 0.8938
368 SEP 0.8937
369 TH7 0.8937
370 XSP 0.8936
371 PNZ 0.8935
372 LEU 0.8935
373 1M2 0.8935
374 6AP 0.8935
375 FBA 0.8934
376 9RW 0.8933
377 HH5 0.8933
378 4WL 0.8932
379 7VD 0.8931
380 ISN 0.8931
381 M6W 0.8931
382 HCS 0.8931
383 4JP 0.8930
384 A20 0.8930
385 1P8 0.8928
386 LDU 0.8928
387 NPY 0.8927
388 AMH 0.8925
389 PEZ 0.8925
390 ABN 0.8924
391 VGD 0.8924
392 K2T 0.8923
393 2CK 0.8923
394 GLY ALA 0.8923
395 2FT 0.8921
396 2DR 0.8918
397 C2A 0.8918
398 XIY 0.8917
399 93K 0.8916
400 SD4 0.8914
401 POP 0.8914
402 0OC 0.8914
403 PPV 0.8910
404 FSG 0.8910
405 4JL 0.8909
406 P9P 0.8908
407 KKN 0.8908
408 3PG 0.8908
409 DBH 0.8907
410 CIZ 0.8906
411 TTL 0.8906
412 MLI 0.8905
413 9DG 0.8905
414 BHA 0.8904
415 CFP 0.8903
416 ILE 0.8903
417 ANN 0.8902
418 5RG 0.8902
419 ES7 0.8902
420 HL5 0.8900
421 GTQ 0.8899
422 PIS 0.8899
423 GLY GLY 0.8895
424 M1A 0.8895
425 9YL 0.8895
426 HBX 0.8892
427 IPB 0.8891
428 INO 0.8891
429 LT2 0.8890
430 YH7 0.8889
431 RBJ 0.8889
432 4XR 0.8889
433 47J 0.8888
434 3F0 0.8887
435 PY7 0.8887
436 A2F 0.8886
437 1DW 0.8886
438 DTL 0.8886
439 J9T 0.8885
440 UFV 0.8885
441 9TZ 0.8885
442 4JT 0.8884
443 M4S 0.8884
444 CXF 0.8884
445 DA4 0.8883
446 1PT 0.8883
447 SYN 0.8883
448 9X7 0.8883
449 54G 0.8882
450 MRY 0.8881
451 URS 0.8880
452 FPY 0.8879
453 FLA 0.8879
454 LNO 0.8879
455 45L 0.8878
456 ZXD 0.8878
457 67N 0.8876
458 C2B 0.8873
459 PEL 0.8873
460 GYE 0.8873
461 6CS 0.8872
462 3PP 0.8872
463 5M0 0.8871
464 JYD 0.8871
465 HG3 0.8871
466 OW4 0.8871
467 4NM 0.8870
468 FBB 0.8869
469 J1Z 0.8869
470 HSE 0.8868
471 MLA 0.8868
472 DX4 0.8867
473 SAT 0.8867
474 AMC 0.8866
475 IQ0 0.8865
476 CTL 0.8865
477 NBE 0.8863
478 FYU 0.8863
479 24B 0.8860
480 DMV 0.8859
481 PBE 0.8858
482 5QY 0.8858
483 OVP 0.8857
484 FP1 0.8857
485 K34 0.8856
486 FBU 0.8855
487 R2B 0.8855
488 PEA 0.8854
489 TDR 0.8853
490 069 0.8852
491 2FY 0.8852
492 PYF 0.8851
493 8WO 0.8851
494 3HA 0.8851
495 3PF 0.8850
496 GVM 0.8848
497 GG6 0.8847
498 M4T 0.8847
499 4A3 0.8846
500 TH0 0.8845
501 3BU 0.8844
502 HMH 0.8844
503 T9G 0.8844
504 PAF 0.8843
505 SHA 0.8843
506 MZ0 0.8843
507 PYJ 0.8842
508 PCT 0.8842
509 SVN 0.8841
510 PIM 0.8841
511 S2G 0.8840
512 WBU 0.8838
513 FBT 0.8838
514 DMG 0.8837
515 ADZ 0.8837
516 GPF 0.8837
517 5MK 0.8835
518 7B4 0.8835
519 DE5 0.8834
520 CWM 0.8834
521 5UC 0.8833
522 AEF 0.8832
523 3HM 0.8832
524 CMS 0.8831
525 2BG 0.8831
526 3YP 0.8830
527 J9N 0.8829
528 2HO 0.8829
529 Q88 0.8829
530 2HQ 0.8828
531 J9Q 0.8827
532 ES0 0.8826
533 JLZ 0.8826
534 NNO 0.8826
535 B85 0.8825
536 URF 0.8825
537 2EC 0.8824
538 FK8 0.8824
539 NSP 0.8823
540 9TW 0.8823
541 CHB 0.8823
542 8ZE 0.8822
543 4JU 0.8822
544 K6V 0.8821
545 IHB 0.8821
546 36E 0.8820
547 0CU 0.8820
548 259 0.8820
549 C5J 0.8820
550 4MV 0.8820
551 ZZT 0.8818
552 IGA 0.8818
553 XX2 0.8818
554 449 0.8817
555 ORO 0.8816
556 141 0.8815
557 4ZA 0.8814
558 DAL DAL 0.8813
559 SYG 0.8812
560 1AB 0.8810
561 290 0.8810
562 9X6 0.8808
563 HHH 0.8808
564 SX1 0.8806
565 FHB 0.8806
566 23W 0.8804
567 YRL 0.8804
568 KMH 0.8803
569 23J 0.8803
570 1XM 0.8803
571 2F6 0.8803
572 8H8 0.8802
573 RIB 0.8801
574 PIY 0.8801
575 SN4 0.8799
576 ACH 0.8799
577 4FA 0.8798
578 FPI 0.8798
579 HLR 0.8794
580 LNR 0.8793
581 SYM 0.8792
582 SYV 0.8791
583 92K 0.8790
584 NCT 0.8788
585 2MH 0.8787
586 6OT 0.8785
587 1MR 0.8784
588 6NT 0.8784
589 1WG 0.8783
590 9J3 0.8783
591 4BZ 0.8782
592 TYL 0.8781
593 1MC 0.8780
594 GWM 0.8780
595 OHP 0.8780
596 DOR 0.8780
597 BOA 0.8780
598 L99 0.8779
599 KIV 0.8776
600 QSB 0.8776
601 TZE 0.8774
602 O7U 0.8773
603 4HP 0.8772
604 HC4 0.8772
605 CCE 0.8771
606 5JC 0.8771
607 LER 0.8770
608 EA1 0.8770
609 NK 0.8769
610 86J 0.8769
611 DGL 0.8767
612 MJ2 0.8766
613 3HL 0.8766
614 3HG 0.8765
615 DGJ 0.8765
616 0JD 0.8765
617 42A 0.8764
618 0HN 0.8763
619 1LN 0.8763
620 ASO 0.8762
621 ADE 0.8761
622 CEE 0.8761
623 4JC 0.8760
624 2PN 0.8760
625 BCP 0.8760
626 2A9 0.8760
627 PZM 0.8759
628 MCT 0.8758
629 5JQ 0.8757
630 3PY 0.8757
631 150 0.8755
632 BVG 0.8755
633 IUR 0.8755
634 IFM 0.8755
635 3NY 0.8753
636 5XB 0.8752
637 B24 0.8752
638 HQJ 0.8750
639 DHI 0.8749
640 RAT 0.8748
641 HPA 0.8748
642 52C 0.8747
643 HHA 0.8746
644 BVC 0.8745
645 129 0.8744
646 BPN 0.8744
647 OGA 0.8743
648 2KT 0.8743
649 275 0.8739
650 2ZM 0.8739
651 PLQ 0.8736
652 AAE 0.8735
653 M6N 0.8735
654 4ZE 0.8734
655 2CQ 0.8733
656 JB5 0.8733
657 3HR 0.8732
658 IDH 0.8731
659 4HO 0.8730
660 2YU 0.8730
661 XBZ 0.8730
662 2EZ 0.8729
663 9R5 0.8728
664 OSE 0.8728
665 1F1 0.8726
666 5GU 0.8726
667 PMF 0.8726
668 AZ8 0.8724
669 0HO 0.8723
670 MWM 0.8723
671 5MH 0.8721
672 ICP 0.8719
673 IFL 0.8719
674 R9M 0.8719
675 10L 0.8719
676 43M 0.8717
677 MAK 0.8717
678 NLE 0.8716
679 9RH 0.8715
680 AZF 0.8715
681 URC 0.8715
682 MZG 0.8714
683 HQE 0.8711
684 4HC 0.8710
685 NOJ 0.8710
686 9CL 0.8709
687 P2D 0.8708
688 97T 0.8707
689 PC 0.8706
690 4JM 0.8706
691 GXY 0.8706
692 G3E 0.8706
693 4SD 0.8706
694 2AC 0.8705
695 THR 0.8705
696 DFB 0.8704
697 MEQ 0.8704
698 M1E 0.8701
699 HVQ 0.8700
700 5DI 0.8700
701 4JQ 0.8698
702 2LP 0.8698
703 4YO 0.8697
704 IVA 0.8695
705 ODO 0.8695
706 3HP 0.8694
707 0R0 0.8694
708 KJU 0.8694
709 NVI 0.8693
710 BP1 0.8693
711 1SQ 0.8693
712 4HM 0.8692
713 ABI 0.8692
714 H3M 0.8692
715 KBZ 0.8691
716 R8V 0.8691
717 34A 0.8691
718 R8A 0.8690
719 BML 0.8690
720 LZM 0.8688
721 XYD 0.8688
722 DA1 0.8686
723 2CO 0.8686
724 FPN 0.8685
725 4CL 0.8684
726 R9S 0.8683
727 1NP 0.8683
728 5QX 0.8683
729 5NI 0.8682
730 MEW 0.8682
731 BDF 0.8681
732 CTS 0.8680
733 6NI 0.8678
734 8WT 0.8678
735 6MP 0.8677
736 SC2 0.8676
737 KPL 0.8676
738 N2I 0.8676
739 BTY 0.8675
740 SJ5 0.8675
741 4CH 0.8675
742 FCN 0.8674
743 PE0 0.8672
744 AW5 0.8671
745 CWS 0.8670
746 45C 0.8670
747 H8N 0.8670
748 4AA 0.8669
749 4JJ 0.8668
750 A1U 0.8668
751 PM6 0.8668
752 GLC 0.8667
753 5SG 0.8667
754 O72 0.8667
755 PCR 0.8666
756 J9W 0.8666
757 5Q0 0.8665
758 JZ3 0.8665
759 MAH 0.8663
760 DHK 0.8663
761 0TU 0.8663
762 E7Z 0.8662
763 AT3 0.8661
764 FRU 0.8661
765 BDP 0.8661
766 JZ2 0.8660
767 D48 0.8659
768 XYP 0.8659
769 75K 0.8659
770 0MK 0.8659
771 MQN 0.8659
772 SOE 0.8657
773 LG4 0.8657
774 CYS 0.8657
775 FDB 0.8656
776 6FZ 0.8655
777 3DM 0.8655
778 12Q 0.8653
779 CWJ 0.8652
780 XXG 0.8652
781 PXY 0.8651
782 OXC 0.8651
783 7HP 0.8651
784 D1X 0.8649
785 A7W 0.8648
786 HX3 0.8647
787 25R 0.8645
788 2D0 0.8645
789 QWN 0.8645
790 4HS 0.8642
791 280 0.8642
792 2HU 0.8642
793 Q02 0.8639
794 5IQ 0.8638
795 0P6 0.8638
796 5RN 0.8637
797 M1Q 0.8637
798 L5V 0.8636
799 ORN 0.8635
800 6NA 0.8635
801 KUF 0.8635
802 F4Z 0.8634
803 H76 0.8633
804 MWJ 0.8633
805 KYD 0.8633
806 SER 0.8633
807 B55 0.8632
808 1LQ 0.8631
809 J5I 0.8631
810 SKM 0.8630
811 PDC 0.8630
812 HT4 0.8627
813 34D 0.8624
814 4YS 0.8623
815 ABU 0.8623
816 MAJ 0.8622
817 DHR 0.8622
818 ES4 0.8622
819 BR9 0.8621
820 6RQ 0.8620
821 N5J 0.8618
822 7W1 0.8617
823 KJH 0.8616
824 URA 0.8615
825 HQT 0.8614
826 3XX 0.8613
827 24W 0.8613
828 27Y 0.8612
829 3Z8 0.8610
830 4XH 0.8608
831 LEA 0.8608
832 4P0 0.8605
833 E4P 0.8603
834 SE2 0.8603
835 M5K 0.8602
836 PSJ 0.8600
837 5JL 0.8599
838 B09 0.8598
839 6F0 0.8598
840 MDN 0.8597
841 GRE 0.8596
842 TM7 0.8596
843 DIN 0.8596
844 NLP 0.8594
845 6TZ 0.8593
846 S7J 0.8593
847 DSN 0.8592
848 JDN 0.8592
849 LXC 0.8592
850 F4E 0.8592
851 JBK 0.8590
852 263 0.8589
853 4ZC 0.8588
854 XAZ 0.8584
855 2ZV 0.8583
856 TGX 0.8582
857 AJ2 0.8581
858 ICO 0.8580
859 R1P 0.8578
860 MRW 0.8578
861 LDP 0.8577
862 P4B 0.8575
863 F1A 0.8575
864 8TX 0.8571
865 F81 0.8571
866 QBK 0.8566
867 KT7 0.8564
868 DGY 0.8561
869 23A 0.8559
870 JPZ 0.8557
871 4JN 0.8557
872 9MG 0.8556
873 PD2 0.8554
874 F31 0.8549
875 KDV 0.8545
876 CRS 0.8539
877 GZL 0.8535
878 SIF 0.8533
879 9FL 0.8524
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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