Receptor
PDB id Resolution Class Description Source Keywords
1P0B 1.7 Å EC: 2.4.2.29 CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) FRO ZYMOMONAS MOBILIS COMPLEXED WITH ARCHAEOSINE PRECURSOR, PRE ZYMOMONAS MOBILIS SUBSTRATE-PROTEIN-COMPLEX TRANSFERASE
Ref.: FLEXIBLE ADAPTATIONS IN THE STRUCTURE OF THE TRNA-M ENZYME TRNA-GUANINE TRANSGLYCOSYLASE AND THEIR IMPL FOR SUBSTRATE SELECTIVITY, REACTION MECHANISM AND STRUCTURE-BASED DRUG DESIGN CHEMBIOCHEM V. 4 1066 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PQ0 A:900;
Valid;
none;
submit data
175.147 C7 H5 N5 O c1c(c...
ZN A:400;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GE7 1.5 Å EC: 2.4.2.29 TRNA-GUANINE TRANSGLYCOSYLASE IN COMPLEX WITH 6-AMINO-4-{2- [(CYCLOPENTYLMETHYL)AMINO]ETHYL}-2-(METHYLAMINO)-1,7-DIHYDRI MIDAZO[4,5-G]QUINAZOLIN-8-ONE ZYMOMONAS MOBILIS DRUG DESIGN TGT TIM BARREL GLYCOSYLTRANSFERASE METAL-BINDQUEUOSINE BIOSYNTHESIS TRANSFERASE TRNA PROCESSING
Ref.: HOW TO REPLACE THE RESIDUAL SOLVATION SHELL OF POLA SITE RESIDUES TO ACHIEVE NANOMOLAR INHIBITION OF TRNA-GUANINE TRANSGLYCOSYLASE CHEMMEDCHEM V. 4 2012 2009
Members (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1ENU Ki = 8.3 uM APZ C8 H7 N3 O2 c1cc2c(cc1....
2 2PWU - GUN C5 H5 N5 O c1[nH]c2c(....
3 4Q4S Kd = 111.6 nM S98 C14 H12 N6 O S c1cc(sc1)C....
4 2QII - PQ0 C7 H5 N5 O c1c(c2c([n....
5 1PXG - PRF C7 H9 N5 O c1c(c2c([n....
6 4KWO Ki = 353 nM 1UD C18 H24 N6 O5 CNc1[nH]c2....
7 2Z7K Ki = 77 nM BGU C9 H8 N6 O c1c2c(cc3c....
8 3SM0 Ki = 740 nM AEK C18 H24 N6 O CNc1[nH]c2....
9 6RKQ Ki = 48 uM K75 C13 H14 N6 CC#C[C@@H]....
10 4Q4P Kd = 407.4 nM 2YO C16 H20 N6 O c1c2c(cc3c....
11 1K4H Ki = 7.7 uM APQ C12 H16 N4 O S CCCSCc1cc(....
12 1EFZ - PRF C7 H9 N5 O c1c(c2c([n....
13 3C2Y Ki = 1.5 uM S60 C10 H9 N5 O Cc1[nH]c2c....
14 1Y5X Ki = 3.7 uM E89 C18 H17 N5 O2 COc1ccc(cc....
15 1R5Y Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
16 3RR4 Ki = 28050 nM HRD C11 H12 N6 O CNc1[nH]c2....
17 3EOU Ki = 97 nM PK3 C12 H14 N6 O2 CNc1[nH]c2....
18 6FMN Kd = 1120 nM E4E C15 H18 N6 O5 CO[C@H]1[C....
19 4Q4Q Kd = 1638.9 nM SAQ C14 H11 N5 O S c1cc(sc1)C....
20 4E2V - PRF C7 H9 N5 O c1c(c2c([n....
21 2Z1X - PRF C7 H9 N5 O c1c(c2c([n....
22 5JXQ Ki = 7 nM 6OK C19 H20 N6 O2 c1cc(ccc1C....
23 1Q66 Ki = 1.7 uM KMB C16 H16 N4 O S c1ccc(cc1)....
24 1N2V Ki = 83 uM BDI C9 H12 N4 O2 CCCCc1[nH]....
25 1Y5W Ki = 6.9 uM NEZ C18 H17 N5 O Cc1ccc(cc1....
26 1Q63 Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
27 4PUL Kd = 146.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
28 3GC4 Ki = 25 nM AAQ C19 H21 N7 O CNc1[nH]c2....
29 4LBU Kd = 276 nM 1WJ C18 H24 N6 O5 CNc1[nH]c2....
30 6RKT Ki = 17 uM K7H C10 H12 N6 CNc1[nH]c2....
31 2Z1W - BDI C9 H12 N4 O2 CCCCc1[nH]....
32 1K4G Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
33 1P0E - PRF C7 H9 N5 O c1c(c2c([n....
34 4LEQ Kd = 288 nM 1WK C17 H22 N6 O5 CNc1[nH]c2....
35 1P0B - PQ0 C7 H5 N5 O c1c(c2c([n....
36 2POT - GUN C5 H5 N5 O c1[nH]c2c(....
37 2QZR Ki = 55 nM S79 C20 H16 N6 O c1ccc2c(c1....
38 4Q4O Kd = 34.3 nM 2YM C16 H21 N7 O c1c2c(cc3c....
39 3S1G Ki = 6500 nM ITE C10 H9 N5 O CNc1[nH]c2....
40 4PUM Kd = 188.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
41 1S38 Ki = 7 uM MAQ C9 H9 N3 O Cc1cccc2c1....
42 1Q65 Ki = 3.5 uM BHB C13 H19 N5 O S CN(C)CCSCc....
43 3EOS Ki = 4 nM PK2 C19 H27 N7 O CNc1[nH]c2....
44 1F3E Ki = 0.2 uM DPZ C8 H8 N4 O2 c1c(cc(c2c....
45 1Y5V Ki = 1 uM NE8 C17 H15 N5 O c1ccc(cc1)....
46 1OZQ - PRF C7 H9 N5 O c1c(c2c([n....
47 4PUJ Kd = 35 nM CKR C15 H19 N7 O2 c1c2c(cc3c....
48 2BBF Ki = 7.9 uM 344 C9 H7 N5 O c1c2c(cc3c....
49 6FPU Kd = 321 nM E48 C21 H26 N6 O6 CC1(O[C@@H....
50 1S39 Ki = 20 nM AQO C8 H7 N3 O c1ccc2c(c1....
51 3TLL Ki = 40830 nM 62D C12 H14 N6 O CCNC1=Nc2c....
52 4PUK Kd = 52.4 nM 2WU C10 H10 N6 O CNc1[nH]c2....
53 2PWV - PQ0 C7 H5 N5 O c1c(c2c([n....
54 3GC5 Ki = 55 nM 2MQ C12 H15 N7 O CNc1[nH]c2....
55 3GE7 Ki = 2 nM AFQ C18 H25 N7 O CNc1[nH]c2....
56 4Q4R Kd = 369.2 nM SQO C15 H18 N6 O2 c1c2c(cc3c....
57 1Q4W Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
70% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1ENU Ki = 8.3 uM APZ C8 H7 N3 O2 c1cc2c(cc1....
2 2PWU - GUN C5 H5 N5 O c1[nH]c2c(....
3 4Q4S Kd = 111.6 nM S98 C14 H12 N6 O S c1cc(sc1)C....
4 2QII - PQ0 C7 H5 N5 O c1c(c2c([n....
5 1PXG - PRF C7 H9 N5 O c1c(c2c([n....
6 4KWO Ki = 353 nM 1UD C18 H24 N6 O5 CNc1[nH]c2....
7 2Z7K Ki = 77 nM BGU C9 H8 N6 O c1c2c(cc3c....
8 3SM0 Ki = 740 nM AEK C18 H24 N6 O CNc1[nH]c2....
9 6RKQ Ki = 48 uM K75 C13 H14 N6 CC#C[C@@H]....
10 4Q4P Kd = 407.4 nM 2YO C16 H20 N6 O c1c2c(cc3c....
11 1K4H Ki = 7.7 uM APQ C12 H16 N4 O S CCCSCc1cc(....
12 1EFZ - PRF C7 H9 N5 O c1c(c2c([n....
13 3C2Y Ki = 1.5 uM S60 C10 H9 N5 O Cc1[nH]c2c....
14 1Y5X Ki = 3.7 uM E89 C18 H17 N5 O2 COc1ccc(cc....
15 1R5Y Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
16 3RR4 Ki = 28050 nM HRD C11 H12 N6 O CNc1[nH]c2....
17 3EOU Ki = 97 nM PK3 C12 H14 N6 O2 CNc1[nH]c2....
18 6FMN Kd = 1120 nM E4E C15 H18 N6 O5 CO[C@H]1[C....
19 4Q4Q Kd = 1638.9 nM SAQ C14 H11 N5 O S c1cc(sc1)C....
20 4E2V - PRF C7 H9 N5 O c1c(c2c([n....
21 2Z1X - PRF C7 H9 N5 O c1c(c2c([n....
22 5JXQ Ki = 7 nM 6OK C19 H20 N6 O2 c1cc(ccc1C....
23 1Q66 Ki = 1.7 uM KMB C16 H16 N4 O S c1ccc(cc1)....
24 1N2V Ki = 83 uM BDI C9 H12 N4 O2 CCCCc1[nH]....
25 1Y5W Ki = 6.9 uM NEZ C18 H17 N5 O Cc1ccc(cc1....
26 1Q63 Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
27 4PUL Kd = 146.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
28 3GC4 Ki = 25 nM AAQ C19 H21 N7 O CNc1[nH]c2....
29 4LBU Kd = 276 nM 1WJ C18 H24 N6 O5 CNc1[nH]c2....
30 6RKT Ki = 17 uM K7H C10 H12 N6 CNc1[nH]c2....
31 2Z1W - BDI C9 H12 N4 O2 CCCCc1[nH]....
32 1K4G Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
33 1P0E - PRF C7 H9 N5 O c1c(c2c([n....
34 4LEQ Kd = 288 nM 1WK C17 H22 N6 O5 CNc1[nH]c2....
35 1P0B - PQ0 C7 H5 N5 O c1c(c2c([n....
36 2POT - GUN C5 H5 N5 O c1[nH]c2c(....
37 2QZR Ki = 55 nM S79 C20 H16 N6 O c1ccc2c(c1....
38 4Q4O Kd = 34.3 nM 2YM C16 H21 N7 O c1c2c(cc3c....
39 3S1G Ki = 6500 nM ITE C10 H9 N5 O CNc1[nH]c2....
40 4PUM Kd = 188.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
41 1S38 Ki = 7 uM MAQ C9 H9 N3 O Cc1cccc2c1....
42 1Q65 Ki = 3.5 uM BHB C13 H19 N5 O S CN(C)CCSCc....
43 3EOS Ki = 4 nM PK2 C19 H27 N7 O CNc1[nH]c2....
44 1F3E Ki = 0.2 uM DPZ C8 H8 N4 O2 c1c(cc(c2c....
45 1Y5V Ki = 1 uM NE8 C17 H15 N5 O c1ccc(cc1)....
46 1OZQ - PRF C7 H9 N5 O c1c(c2c([n....
47 4PUJ Kd = 35 nM CKR C15 H19 N7 O2 c1c2c(cc3c....
48 2BBF Ki = 7.9 uM 344 C9 H7 N5 O c1c2c(cc3c....
49 6FPU Kd = 321 nM E48 C21 H26 N6 O6 CC1(O[C@@H....
50 1S39 Ki = 20 nM AQO C8 H7 N3 O c1ccc2c(c1....
51 3TLL Ki = 40830 nM 62D C12 H14 N6 O CCNC1=Nc2c....
52 4PUK Kd = 52.4 nM 2WU C10 H10 N6 O CNc1[nH]c2....
53 2PWV - PQ0 C7 H5 N5 O c1c(c2c([n....
54 3GC5 Ki = 55 nM 2MQ C12 H15 N7 O CNc1[nH]c2....
55 3GE7 Ki = 2 nM AFQ C18 H25 N7 O CNc1[nH]c2....
56 4Q4R Kd = 369.2 nM SQO C15 H18 N6 O2 c1c2c(cc3c....
57 1Q4W Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
50% Homology Family (59)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1ENU Ki = 8.3 uM APZ C8 H7 N3 O2 c1cc2c(cc1....
2 2PWU - GUN C5 H5 N5 O c1[nH]c2c(....
3 4Q4S Kd = 111.6 nM S98 C14 H12 N6 O S c1cc(sc1)C....
4 2QII - PQ0 C7 H5 N5 O c1c(c2c([n....
5 1PXG - PRF C7 H9 N5 O c1c(c2c([n....
6 4KWO Ki = 353 nM 1UD C18 H24 N6 O5 CNc1[nH]c2....
7 2Z7K Ki = 77 nM BGU C9 H8 N6 O c1c2c(cc3c....
8 3SM0 Ki = 740 nM AEK C18 H24 N6 O CNc1[nH]c2....
9 6RKQ Ki = 48 uM K75 C13 H14 N6 CC#C[C@@H]....
10 4Q4P Kd = 407.4 nM 2YO C16 H20 N6 O c1c2c(cc3c....
11 1K4H Ki = 7.7 uM APQ C12 H16 N4 O S CCCSCc1cc(....
12 1EFZ - PRF C7 H9 N5 O c1c(c2c([n....
13 3C2Y Ki = 1.5 uM S60 C10 H9 N5 O Cc1[nH]c2c....
14 1Y5X Ki = 3.7 uM E89 C18 H17 N5 O2 COc1ccc(cc....
15 1R5Y Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
16 3RR4 Ki = 28050 nM HRD C11 H12 N6 O CNc1[nH]c2....
17 3EOU Ki = 97 nM PK3 C12 H14 N6 O2 CNc1[nH]c2....
18 6FMN Kd = 1120 nM E4E C15 H18 N6 O5 CO[C@H]1[C....
19 4Q4Q Kd = 1638.9 nM SAQ C14 H11 N5 O S c1cc(sc1)C....
20 4E2V - PRF C7 H9 N5 O c1c(c2c([n....
21 2Z1X - PRF C7 H9 N5 O c1c(c2c([n....
22 5JXQ Ki = 7 nM 6OK C19 H20 N6 O2 c1cc(ccc1C....
23 1Q66 Ki = 1.7 uM KMB C16 H16 N4 O S c1ccc(cc1)....
24 1N2V Ki = 83 uM BDI C9 H12 N4 O2 CCCCc1[nH]....
25 1Y5W Ki = 6.9 uM NEZ C18 H17 N5 O Cc1ccc(cc1....
26 1Q63 Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
27 4PUL Kd = 146.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
28 3GC4 Ki = 25 nM AAQ C19 H21 N7 O CNc1[nH]c2....
29 4LBU Kd = 276 nM 1WJ C18 H24 N6 O5 CNc1[nH]c2....
30 6RKT Ki = 17 uM K7H C10 H12 N6 CNc1[nH]c2....
31 2Z1W - BDI C9 H12 N4 O2 CCCCc1[nH]....
32 1K4G Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
33 1P0E - PRF C7 H9 N5 O c1c(c2c([n....
34 4LEQ Kd = 288 nM 1WK C17 H22 N6 O5 CNc1[nH]c2....
35 1P0B - PQ0 C7 H5 N5 O c1c(c2c([n....
36 2POT - GUN C5 H5 N5 O c1[nH]c2c(....
37 2QZR Ki = 55 nM S79 C20 H16 N6 O c1ccc2c(c1....
38 4Q4O Kd = 34.3 nM 2YM C16 H21 N7 O c1c2c(cc3c....
39 3S1G Ki = 6500 nM ITE C10 H9 N5 O CNc1[nH]c2....
40 4PUM Kd = 188.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
41 1S38 Ki = 7 uM MAQ C9 H9 N3 O Cc1cccc2c1....
42 1Q65 Ki = 3.5 uM BHB C13 H19 N5 O S CN(C)CCSCc....
43 3EOS Ki = 4 nM PK2 C19 H27 N7 O CNc1[nH]c2....
44 1F3E Ki = 0.2 uM DPZ C8 H8 N4 O2 c1c(cc(c2c....
45 1Y5V Ki = 1 uM NE8 C17 H15 N5 O c1ccc(cc1)....
46 1OZQ - PRF C7 H9 N5 O c1c(c2c([n....
47 4PUJ Kd = 35 nM CKR C15 H19 N7 O2 c1c2c(cc3c....
48 2BBF Ki = 7.9 uM 344 C9 H7 N5 O c1c2c(cc3c....
49 6FPU Kd = 321 nM E48 C21 H26 N6 O6 CC1(O[C@@H....
50 1S39 Ki = 20 nM AQO C8 H7 N3 O c1ccc2c(c1....
51 3TLL Ki = 40830 nM 62D C12 H14 N6 O CCNC1=Nc2c....
52 4PUK Kd = 52.4 nM 2WU C10 H10 N6 O CNc1[nH]c2....
53 2PWV - PQ0 C7 H5 N5 O c1c(c2c([n....
54 3GC5 Ki = 55 nM 2MQ C12 H15 N7 O CNc1[nH]c2....
55 3GE7 Ki = 2 nM AFQ C18 H25 N7 O CNc1[nH]c2....
56 4Q4R Kd = 369.2 nM SQO C15 H18 N6 O2 c1c2c(cc3c....
57 1Q4W Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
58 6H42 - GGL C5 H9 N O4 C(CC(=O)O)....
59 6H45 - QEI C12 H15 N5 O3 c1c(c2c([n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PQ0; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 PQ0 1 1
2 PRF 0.509434 0.857143
3 FDB 0.5 0.954545
4 2KA 0.482143 0.857143
5 DX6 0.415385 0.857143
6 DX7 0.409091 0.914894
7 JU2 0.40678 0.877551
8 Q0K 0.40625 0.893617
Similar Ligands (3D)
Ligand no: 1; Ligand: PQ0; Similar ligands found: 1056
No: Ligand Similarity coefficient
1 PH2 0.9711
2 HHR 0.9607
3 ZZZ 0.9596
4 44W 0.9590
5 37T 0.9575
6 NDM 0.9571
7 XQ0 0.9569
8 XHP 0.9560
9 B62 0.9518
10 N8Y 0.9506
11 XAZ 0.9500
12 B57 0.9490
13 0FO 0.9489
14 QX4 0.9487
15 G3F 0.9483
16 GCS 0.9477
17 OTW 0.9475
18 GSY 0.9474
19 MVN 0.9474
20 AJV 0.9471
21 BGC 0.9464
22 DQU 0.9463
23 7B4 0.9463
24 9R5 0.9461
25 75K 0.9456
26 LZM 0.9450
27 44V 0.9443
28 URC 0.9443
29 TTY 0.9439
30 8S0 0.9438
31 VK3 0.9431
32 5JQ 0.9426
33 BTY 0.9424
34 42A 0.9421
35 6ME 0.9416
36 2FY 0.9410
37 7B3 0.9409
38 IV2 0.9406
39 I3A 0.9406
40 PYQ 0.9399
41 0P6 0.9395
42 86J 0.9394
43 5JL 0.9394
44 8TX 0.9394
45 3DM 0.9393
46 M1H 0.9391
47 2EC 0.9390
48 MS9 0.9390
49 3MG 0.9388
50 4TU 0.9387
51 8CM 0.9380
52 GLC 0.9376
53 MQN 0.9375
54 Q24 0.9375
55 FDR 0.9375
56 EQT 0.9374
57 9LI 0.9373
58 SYV 0.9373
59 AQO 0.9366
60 4JQ 0.9366
61 MEW 0.9365
62 MUA 0.9365
63 JXN 0.9364
64 5RO 0.9364
65 KT7 0.9362
66 2HQ 0.9360
67 PE0 0.9360
68 B55 0.9360
69 JXW 0.9356
70 M5K 0.9356
71 KUF 0.9355
72 AZ8 0.9352
73 ZVO 0.9349
74 209 0.9348
75 B53 0.9348
76 CFF 0.9347
77 NID 0.9346
78 32X 0.9344
79 4YO 0.9342
80 CWS 0.9341
81 NQ 0.9340
82 PQK 0.9339
83 HLZ 0.9337
84 0TU 0.9332
85 7HQ 0.9331
86 3HA 0.9331
87 MAQ 0.9327
88 DHQ 0.9326
89 B60 0.9326
90 JBK 0.9326
91 CLZ 0.9325
92 RXA 0.9324
93 TEP 0.9323
94 8ZE 0.9322
95 3M0 0.9321
96 H33 0.9319
97 94W 0.9318
98 ADZ 0.9318
99 N2I 0.9317
100 KJY 0.9316
101 36R 0.9315
102 4HC 0.9311
103 GXY 0.9311
104 RM1 0.9308
105 DBH 0.9308
106 0FN 0.9306
107 5WX 0.9306
108 3DO 0.9305
109 BCU 0.9305
110 7VS 0.9304
111 CWJ 0.9304
112 6VD 0.9302
113 DIN 0.9300
114 AJ2 0.9299
115 3WA 0.9298
116 AZ9 0.9294
117 HMH 0.9294
118 2A9 0.9291
119 APS 0.9291
120 BEA 0.9288
121 CLW 0.9287
122 9KT 0.9286
123 4AA 0.9286
124 680 0.9284
125 LT2 0.9283
126 DOB 0.9282
127 YSO 0.9282
128 3F0 0.9279
129 ZB1 0.9278
130 7W1 0.9275
131 HQT 0.9275
132 A7W 0.9274
133 FBB 0.9273
134 KIB 0.9270
135 KIA 0.9270
136 FA0 0.9266
137 PFB 0.9266
138 5NE 0.9264
139 VGD 0.9263
140 LI6 0.9263
141 JXZ 0.9262
142 K2T 0.9262
143 FOT 0.9261
144 MRW 0.9260
145 SKA 0.9260
146 ET2 0.9259
147 39A 0.9258
148 TSS 0.9257
149 DBJ 0.9257
150 1P8 0.9257
151 ASO 0.9256
152 BHA 0.9255
153 2AK 0.9254
154 FE DB1 0.9254
155 GDL 0.9250
156 K97 0.9249
157 OA3 0.9248
158 TTL 0.9248
159 ES2 0.9247
160 5VM 0.9246
161 M1Q 0.9246
162 G1O 0.9246
163 D07 0.9245
164 5OB 0.9244
165 ICO 0.9244
166 COU 0.9243
167 J9W 0.9240
168 E7R 0.9240
169 5QX 0.9240
170 12Q 0.9240
171 BZ3 0.9238
172 2FQ 0.9237
173 LGC 0.9237
174 INE 0.9237
175 4M0 0.9236
176 NDG 0.9236
177 8HC 0.9235
178 M6N 0.9235
179 4FS 0.9231
180 2AQ 0.9231
181 8IG 0.9231
182 JB5 0.9229
183 HQD 0.9226
184 GAL 0.9226
185 JBQ 0.9225
186 SHG 0.9225
187 0LH 0.9222
188 K3Q 0.9221
189 JUG 0.9221
190 DIE 0.9220
191 HHA 0.9220
192 ARP 0.9219
193 5WU 0.9219
194 03V 0.9218
195 NAG 0.9216
196 DPZ 0.9216
197 G5V 0.9215
198 0N7 0.9211
199 OCH 0.9211
200 KDV 0.9210
201 PXL 0.9210
202 M0W 0.9210
203 3Z8 0.9208
204 ES5 0.9207
205 GUN 0.9206
206 QWW 0.9203
207 0W8 0.9202
208 XAN 0.9201
209 F81 0.9200
210 8WO 0.9197
211 5XC 0.9195
212 1KP 0.9195
213 QX2 0.9194
214 3QV 0.9193
215 67N 0.9192
216 M0Q 0.9190
217 H42 0.9190
218 DIU 0.9190
219 9DG 0.9189
220 NOJ 0.9189
221 W81 0.9184
222 ODO 0.9184
223 DRL 0.9182
224 K32 0.9181
225 141 0.9178
226 3PF 0.9177
227 2ZQ 0.9176
228 NOY 0.9173
229 2K8 0.9173
230 IGA 0.9173
231 BK9 0.9172
232 5WY 0.9172
233 MO8 0.9171
234 0RW 0.9170
235 5WV 0.9170
236 5NU 0.9169
237 27B 0.9167
238 5RN 0.9166
239 7ZE 0.9166
240 5CU 0.9166
241 VOH 0.9164
242 92K 0.9162
243 QBK 0.9160
244 8H8 0.9156
245 PHH 0.9154
246 6M1 0.9150
247 UFO 0.9148
248 6AP 0.9146
249 1XM 0.9146
250 4MU 0.9145
251 IFL 0.9144
252 HHS 0.9144
253 KJH 0.9144
254 6M9 0.9144
255 R9Y 0.9143
256 7VJ 0.9143
257 SOE 0.9142
258 DEE 0.9141
259 TGX 0.9140
260 12B 0.9140
261 GJP 0.9140
262 F9Y 0.9139
263 4RU 0.9139
264 LOG 0.9139
265 KJU 0.9139
266 UEG 0.9139
267 ALL 0.9138
268 F05 0.9138
269 TBS 0.9138
270 0FK 0.9135
271 ZZT 0.9134
272 M2K 0.9134
273 YH7 0.9134
274 HMU 0.9134
275 G3E 0.9133
276 GRE 0.9132
277 AZA 0.9132
278 WOO 0.9131
279 JG8 0.9131
280 FYU 0.9130
281 8MO 0.9130
282 APZ 0.9129
283 MT5 0.9128
284 7MU 0.9127
285 MR1 0.9125
286 9MG 0.9122
287 6F0 0.9120
288 Q71 0.9119
289 K6X 0.9119
290 E7Z 0.9118
291 LCN 0.9117
292 DX4 0.9117
293 EJZ 0.9117
294 EA1 0.9113
295 HJP 0.9113
296 7W4 0.9112
297 UNC 0.9111
298 KKN 0.9111
299 AJY 0.9110
300 290 0.9109
301 QWN 0.9108
302 DMD 0.9107
303 GCU 0.9105
304 A29 0.9105
305 ISE 0.9105
306 1HN 0.9104
307 KYA 0.9103
308 5QY 0.9102
309 BDP 0.9102
310 A2F 0.9102
311 SE2 0.9101
312 6RQ 0.9098
313 J5I 0.9097
314 82I 0.9097
315 6GU 0.9097
316 K17 0.9097
317 KBG 0.9093
318 AZG 0.9093
319 LXC 0.9089
320 E1T 0.9085
321 BOA 0.9085
322 C2Y 0.9084
323 C2U 0.9084
324 9EW 0.9083
325 TOF 0.9083
326 F1A 0.9082
327 LKA 0.9081
328 K22 0.9080
329 M1E 0.9080
330 SHA 0.9079
331 IJZ 0.9079
332 D48 0.9077
333 2ZV 0.9077
334 0JD 0.9076
335 HDH 0.9074
336 Q77 0.9073
337 M1A 0.9073
338 SYA 0.9072
339 N0Z 0.9071
340 SVN 0.9071
341 TWO 0.9070
342 XYP 0.9070
343 G2F 0.9068
344 ISN 0.9068
345 92P 0.9066
346 UAN 0.9066
347 15N 0.9066
348 3FH 0.9065
349 GZL 0.9065
350 3GQ 0.9064
351 FLV 0.9063
352 CFP 0.9062
353 A7H 0.9061
354 PEY 0.9061
355 ES0 0.9061
356 GF4 0.9059
357 HQY 0.9057
358 LDP 0.9055
359 DNA 0.9055
360 069 0.9055
361 DX3 0.9055
362 24W 0.9055
363 B56 0.9054
364 B5D 0.9054
365 ASC 0.9053
366 ES1 0.9051
367 HH5 0.9051
368 3ID 0.9050
369 VNL 0.9050
370 PXM 0.9048
371 CTS 0.9047
372 GOG 0.9047
373 SXS 0.9046
374 2H5 0.9046
375 NFM 0.9045
376 8W9 0.9044
377 JA8 0.9043
378 4JT 0.9042
379 BZX 0.9042
380 1LQ 0.9040
381 5Q0 0.9039
382 I6G 0.9038
383 ZYR 0.9038
384 5GU 0.9037
385 1P7 0.9037
386 6M4 0.9036
387 0F9 0.9036
388 QXW 0.9035
389 FK1 0.9035
390 HH8 0.9034
391 MS0 0.9033
392 NVU 0.9033
393 5NS 0.9031
394 4Z4 0.9031
395 NGA 0.9031
396 CWM 0.9031
397 HNQ 0.9031
398 4XH 0.9030
399 TH7 0.9029
400 H4N 0.9029
401 F0J 0.9029
402 1NP 0.9028
403 4AN 0.9028
404 HQJ 0.9027
405 11S 0.9023
406 MD6 0.9021
407 12T 0.9020
408 1SQ 0.9020
409 N5J 0.9020
410 2LY 0.9019
411 5SG 0.9019
412 X05 0.9018
413 6KT 0.9018
414 4YS 0.9017
415 ES7 0.9016
416 O72 0.9016
417 BCP 0.9016
418 BSP 0.9015
419 0HO 0.9015
420 9ZE 0.9015
421 25W 0.9015
422 3NT 0.9015
423 BZJ 0.9013
424 NSP 0.9013
425 948 0.9012
426 MAG 0.9012
427 5MI 0.9012
428 F60 0.9012
429 GLT 0.9011
430 4KL 0.9011
431 MIG 0.9011
432 0W1 0.9011
433 RPQ 0.9010
434 JPZ 0.9010
435 23A 0.9010
436 GLA 0.9010
437 8NY 0.9008
438 5IQ 0.9008
439 1LM 0.9005
440 0HN 0.9004
441 OTR 0.9003
442 0CU 0.9002
443 6E8 0.9002
444 2K4 0.9000
445 JBH 0.9000
446 L5V 0.9000
447 14O 0.8999
448 Q6T 0.8999
449 15E 0.8998
450 SRO 0.8997
451 344 0.8997
452 9FL 0.8997
453 5H1 0.8996
454 XQG 0.8996
455 226 0.8995
456 JXK 0.8993
457 BPU 0.8993
458 TSR 0.8992
459 H5B 0.8992
460 0XT 0.8992
461 6NI 0.8990
462 MAN 0.8990
463 X09 0.8990
464 5NI 0.8990
465 NGT 0.8989
466 5MB 0.8989
467 GAB 0.8989
468 JYT 0.8986
469 HA7 0.8985
470 J6W 0.8985
471 ES9 0.8984
472 1DW 0.8984
473 LZ2 0.8983
474 1F1 0.8982
475 2BG 0.8980
476 L46 0.8979
477 QPR 0.8979
478 549 0.8978
479 6AI 0.8978
480 24B 0.8978
481 06B 0.8977
482 BBF 0.8977
483 A2G 0.8977
484 AP4 0.8976
485 1U6 0.8976
486 5B1 0.8975
487 ROI 0.8973
488 3IT 0.8972
489 L3Q 0.8971
490 GTQ 0.8971
491 20J 0.8971
492 SJ5 0.8970
493 6NT 0.8968
494 MVL 0.8968
495 IBF 0.8967
496 N3W 0.8966
497 BCF 0.8966
498 2D0 0.8966
499 GCB 0.8965
500 2GS 0.8965
501 Q88 0.8964
502 3MB 0.8964
503 6X9 0.8963
504 PFL 0.8963
505 GIM 0.8961
506 4VY 0.8961
507 1XN 0.8960
508 JFD 0.8958
509 G6D 0.8958
510 2HU 0.8957
511 HBO 0.8956
512 NSG 0.8956
513 DHR 0.8956
514 7MX 0.8956
515 42C 0.8954
516 8XQ 0.8954
517 SOR 0.8952
518 30G 0.8950
519 HLR 0.8950
520 4NC 0.8948
521 ST2 0.8946
522 AA 0.8944
523 EVA 0.8944
524 54G 0.8943
525 X8D 0.8942
526 MQB 0.8941
527 GT0 0.8941
528 3A9 0.8940
529 CK2 0.8940
530 IPB 0.8939
531 HZQ 0.8939
532 DRG 0.8938
533 8WT 0.8938
534 7ME 0.8938
535 5RG 0.8938
536 9AP 0.8937
537 FDK 0.8936
538 8NX 0.8936
539 5M0 0.8936
540 JB8 0.8935
541 SLS 0.8935
542 CTL 0.8935
543 JAW 0.8932
544 SX1 0.8932
545 JDN 0.8931
546 AHR 0.8931
547 3RK 0.8931
548 28N 0.8930
549 AKH 0.8930
550 39O 0.8930
551 2ZM 0.8929
552 V1T 0.8928
553 XIY 0.8927
554 IFM 0.8925
555 ABI 0.8923
556 NTZ 0.8920
557 I3E 0.8920
558 QAS 0.8920
559 4ME 0.8920
560 VXX 0.8920
561 DFB 0.8920
562 CN0 0.8919
563 54X 0.8919
564 OVM 0.8919
565 LDR 0.8918
566 F5B 0.8918
567 3BU 0.8917
568 ADK 0.8917
569 K5W 0.8916
570 R8V 0.8914
571 OW4 0.8914
572 5MK 0.8914
573 INS 0.8914
574 F2W 0.8913
575 M4E 0.8913
576 P3K 0.8911
577 PX7 0.8910
578 091 0.8909
579 LNR 0.8908
580 FH2 0.8906
581 ANF 0.8905
582 4SV 0.8905
583 GM7 0.8904
584 18N 0.8904
585 NPO 0.8904
586 149 0.8904
587 XX2 0.8903
588 JLZ 0.8903
589 PHB 0.8903
590 A65 0.8902
591 NDH 0.8901
592 SAL 0.8900
593 TT4 0.8900
594 JBE 0.8900
595 PRZ 0.8899
596 JAE 0.8899
597 E7S 0.8898
598 MT0 0.8898
599 EN1 0.8898
600 7NI 0.8897
601 537 0.8896
602 9CA 0.8896
603 V55 0.8895
604 495 0.8895
605 BMA 0.8894
606 PDC 0.8893
607 K68 0.8892
608 MWP 0.8892
609 L99 0.8887
610 GNM 0.8885
611 1M2 0.8884
612 XM5 0.8884
613 GTZ 0.8883
614 HFB 0.8882
615 PNZ 0.8882
616 K8X 0.8881
617 BHO 0.8880
618 DQN 0.8878
619 MFZ 0.8877
620 PA1 0.8876
621 JF2 0.8876
622 GJS 0.8876
623 4BZ 0.8876
624 4XR 0.8875
625 EXO 0.8875
626 THA 0.8874
627 RH1 0.8871
628 2HO 0.8871
629 Z5P 0.8870
630 4XV 0.8870
631 HKD 0.8870
632 SWD 0.8870
633 Q7A 0.8870
634 WCE 0.8869
635 BBK 0.8868
636 DNF 0.8867
637 BE2 0.8867
638 FHB 0.8866
639 X0W 0.8866
640 SWA 0.8865
641 XDE 0.8865
642 DMJ 0.8864
643 3NY 0.8864
644 GCW 0.8863
645 3R4 0.8863
646 HTP 0.8863
647 E1K 0.8862
648 2JK 0.8862
649 61M 0.8860
650 K82 0.8859
651 BA5 0.8859
652 JYB 0.8859
653 93K 0.8859
654 2FG 0.8859
655 DHB 0.8858
656 4A3 0.8856
657 1IT 0.8855
658 9TW 0.8855
659 C9E 0.8854
660 1GN 0.8854
661 PAB 0.8854
662 TIY 0.8853
663 ANN 0.8852
664 NMJ 0.8851
665 GZ8 0.8850
666 QAT 0.8850
667 3R6 0.8849
668 7FF 0.8849
669 329 0.8847
670 ISZ 0.8847
671 GIV 0.8847
672 4VS 0.8847
673 SNO 0.8847
674 1WG 0.8846
675 67X 0.8845
676 NNO 0.8845
677 OXZ 0.8843
678 2MN 0.8843
679 MYJ 0.8843
680 1QP 0.8842
681 EMZ 0.8842
682 F31 0.8842
683 QUZ 0.8841
684 LYL 0.8840
685 428 0.8840
686 ES6 0.8840
687 AEZ 0.8840
688 4HM 0.8840
689 AZF 0.8839
690 BRT 0.8837
691 3HM 0.8837
692 NPY 0.8837
693 6BL 0.8836
694 PBZ 0.8836
695 5TY 0.8834
696 3MA 0.8834
697 IAC 0.8833
698 UQ 0.8833
699 4CS 0.8833
700 RZH 0.8832
701 68A 0.8831
702 J9T 0.8830
703 INO 0.8829
704 2CQ 0.8829
705 FP1 0.8828
706 FIX 0.8827
707 XXR 0.8827
708 YQA 0.8827
709 PJW 0.8825
710 293 0.8824
711 AEF 0.8824
712 3BZ 0.8821
713 F4E 0.8820
714 MNM 0.8819
715 E5X 0.8819
716 GXL 0.8818
717 4M4 0.8818
718 RB5 0.8817
719 HA5 0.8817
720 OVV 0.8816
721 P9P 0.8815
722 EV3 0.8812
723 X11 0.8812
724 TAG 0.8811
725 3U4 0.8811
726 TH0 0.8811
727 2AL 0.8810
728 P72 0.8810
729 FBT 0.8810
730 PD2 0.8810
731 GOX 0.8809
732 3HB 0.8808
733 PCI 0.8808
734 8GC 0.8808
735 KP6 0.8807
736 MNS 0.8807
737 DGJ 0.8807
738 8GK 0.8806
739 ADE 0.8806
740 43M 0.8805
741 J9Q 0.8805
742 HXX 0.8804
743 NLA 0.8803
744 CH9 0.8803
745 AX7 0.8802
746 MBG 0.8802
747 NIZ 0.8800
748 ONR 0.8800
749 3J8 0.8799
750 CHB 0.8799
751 HC4 0.8799
752 FUD 0.8796
753 2F6 0.8793
754 FUL 0.8793
755 F3B 0.8791
756 IOS 0.8790
757 6CS 0.8790
758 8XL 0.8790
759 KFH 0.8789
760 JIF 0.8788
761 4MA 0.8788
762 GYE 0.8787
763 NGO 0.8786
764 ABV 0.8786
765 AC6 0.8785
766 IHB 0.8784
767 M5N 0.8783
768 BP1 0.8782
769 X6X 0.8781
770 RD4 0.8780
771 DHK 0.8780
772 JTH 0.8780
773 4JO 0.8780
774 1WD 0.8779
775 BNT 0.8779
776 K37 0.8779
777 5VL 0.8778
778 AMH 0.8777
779 4XS 0.8776
780 CFI 0.8776
781 XYD 0.8775
782 RHU 0.8774
783 GTR 0.8774
784 6MP 0.8773
785 IUR 0.8772
786 HBD 0.8771
787 GAF 0.8769
788 S0E 0.8769
789 AC2 0.8767
790 97T 0.8767
791 4P5 0.8767
792 XYS 0.8767
793 OVP 0.8766
794 G12 0.8766
795 MHK 0.8766
796 GDE 0.8765
797 3AB 0.8764
798 KJ5 0.8763
799 KGK 0.8763
800 RMN 0.8762
801 ZXD 0.8762
802 E3D 0.8762
803 EUG 0.8761
804 KOJ 0.8760
805 UNJ 0.8760
806 826 0.8760
807 MXX 0.8760
808 CKA 0.8759
809 JKE 0.8757
810 7WV 0.8757
811 HPA 0.8757
812 PYD 0.8756
813 AMG 0.8755
814 9FE 0.8755
815 7WA 0.8755
816 F12 0.8755
817 RM4 0.8755
818 270 0.8754
819 2CK 0.8753
820 4BY 0.8753
821 150 0.8753
822 5HN 0.8750
823 3XX 0.8750
824 7WR 0.8750
825 4FA 0.8750
826 DPT 0.8749
827 BDF 0.8747
828 JF1 0.8746
829 PQZ 0.8746
830 1Y6 0.8746
831 YRL 0.8746
832 4BL 0.8743
833 4NM 0.8741
834 5UC 0.8740
835 N91 0.8739
836 173 0.8738
837 YIO 0.8737
838 AN3 0.8737
839 36M 0.8737
840 GIO 0.8737
841 HX3 0.8736
842 VC2 0.8736
843 WSD 0.8736
844 463 0.8734
845 7MH 0.8732
846 3ZB 0.8731
847 ES4 0.8731
848 E35 0.8730
849 2MI 0.8729
850 IDH 0.8728
851 2SX 0.8728
852 5MH 0.8728
853 RAM 0.8728
854 ADA 0.8726
855 4V2 0.8726
856 RNO 0.8726
857 BPN 0.8726
858 10L 0.8725
859 53C 0.8725
860 EGR 0.8723
861 GHM 0.8722
862 8G0 0.8721
863 IWT 0.8720
864 AY4 0.8720
865 T6C 0.8720
866 259 0.8719
867 QSB 0.8718
868 G4D 0.8717
869 P92 0.8717
870 ESX 0.8716
871 IFP 0.8714
872 H62 0.8713
873 1MC 0.8712
874 174 0.8712
875 SNG 0.8712
876 7HP 0.8710
877 PM6 0.8709
878 505 0.8707
879 45C 0.8704
880 HBA 0.8703
881 Z82 0.8703
882 DBX 0.8702
883 9TZ 0.8702
884 LZB 0.8702
885 BPY 0.8700
886 DK1 0.8700
887 JP2 0.8700
888 BTE 0.8699
889 L7T 0.8699
890 717 0.8698
891 TDR 0.8697
892 4I8 0.8696
893 XBZ 0.8695
894 GCV 0.8694
895 KMY 0.8693
896 ZZ8 0.8692
897 DNC 0.8692
898 OXC 0.8690
899 LSA 0.8690
900 AX3 0.8690
901 TC7 0.8689
902 9DA 0.8688
903 ICP 0.8688
904 I1N 0.8687
905 3VX 0.8686
906 R8S 0.8685
907 EYK 0.8685
908 FCB 0.8684
909 TLD 0.8682
910 34A 0.8681
911 ZWZ 0.8680
912 IBM 0.8679
913 HIS 0.8678
914 275 0.8677
915 SN4 0.8677
916 8NB 0.8676
917 TXW 0.8675
918 PYG 0.8675
919 SKM 0.8674
920 BZ2 0.8674
921 EUE 0.8673
922 SG2 0.8673
923 9HX 0.8673
924 2MP 0.8672
925 GOO 0.8672
926 RNS 0.8671
927 JZ2 0.8671
928 QQQ 0.8670
929 FSW 0.8669
930 ORO 0.8669
931 R20 0.8667
932 XM0 0.8666
933 FRU 0.8665
934 ESP 0.8665
935 KW8 0.8664
936 6FZ 0.8663
937 WBU 0.8663
938 MAJ 0.8661
939 3OC 0.8661
940 SKF 0.8659
941 JTA 0.8659
942 GNY 0.8659
943 FHN 0.8657
944 FUF 0.8657
945 URF 0.8657
946 REL 0.8656
947 MCT 0.8656
948 D3M 0.8656
949 QMS 0.8656
950 PZM 0.8655
951 P9E 0.8654
952 FUC 0.8654
953 MMA 0.8653
954 H6B 0.8652
955 IF7 0.8652
956 4ZE 0.8652
957 261 0.8650
958 D3G 0.8650
959 HNT 0.8649
960 7CZ 0.8649
961 XXP 0.8649
962 X0U 0.8648
963 GNV 0.8648
964 4HO 0.8647
965 DHY 0.8646
966 4VP 0.8645
967 F4Z 0.8645
968 2AC 0.8643
969 4JJ 0.8643
970 52C 0.8643
971 AW5 0.8642
972 4NB 0.8641
973 8OZ 0.8640
974 DA4 0.8638
975 DOR 0.8638
976 4CL 0.8636
977 9PY 0.8635
978 FGZ 0.8632
979 6QF 0.8631
980 PBA 0.8631
981 MFB 0.8630
982 YTX 0.8630
983 QBM 0.8628
984 RIP 0.8626
985 H4B 0.8625
986 MWM 0.8624
987 5CL 0.8624
988 IQ5 0.8622
989 0MK 0.8621
990 23J 0.8620
991 TYL 0.8619
992 1X7 0.8618
993 M6Z 0.8618
994 ESI 0.8618
995 S60 0.8616
996 GMN 0.8616
997 GOJ 0.8615
998 EKZ 0.8615
999 TM4 0.8614
1000 D1X 0.8611
1001 4WL 0.8610
1002 JND 0.8608
1003 I4D 0.8607
1004 BGU 0.8605
1005 ICB 0.8605
1006 AAS 0.8603
1007 0FR 0.8602
1008 FCA 0.8600
1009 3CE 0.8600
1010 MBD 0.8600
1011 MSR 0.8600
1012 HHT 0.8599
1013 3XR 0.8598
1014 N7I 0.8598
1015 VNJ 0.8595
1016 OQC 0.8592
1017 M5H 0.8592
1018 GCO 0.8591
1019 39U 0.8590
1020 HLD 0.8587
1021 BIK 0.8587
1022 2D3 0.8587
1023 X0V 0.8582
1024 4ZA 0.8581
1025 XBT 0.8581
1026 51R 0.8578
1027 4JM 0.8578
1028 LQ2 0.8577
1029 KYD 0.8576
1030 KP2 0.8574
1031 N2M 0.8572
1032 TZF 0.8567
1033 MWJ 0.8567
1034 6MH 0.8567
1035 A1U 0.8565
1036 2O6 0.8563
1037 1L5 0.8562
1038 2CM 0.8561
1039 2F8 0.8556
1040 4ZC 0.8555
1041 9UL 0.8551
1042 LEL 0.8550
1043 3Z7 0.8550
1044 DFU 0.8547
1045 0R0 0.8546
1046 94N 0.8541
1047 DUB 0.8537
1048 RIB 0.8532
1049 2MY 0.8524
1050 XCZ 0.8520
1051 A13 0.8520
1052 ANC 0.8520
1053 SJK 0.8519
1054 MZG 0.8516
1055 NCT 0.8515
1056 GVG 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GE7; Ligand: AFQ; 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: 3ge7.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3GE7; Ligand: AFQ; 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: 3ge7.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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