Receptor
PDB id Resolution Class Description Source Keywords
2BBF 1.7 Å EC: 2.4.2.29 CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) FRO ZYMOMONAS MOBILIS IN COMPLEX WITH 6-AMINO-3,7-DIHYDRO-IMIDAG ]QUINAZOLIN-8-ONE ZYMOMONAS MOBILIS PROTEIN-LIGAND COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF TRNA-GUANINE TRANSGLYCOSYLASE COMPLEX WITH NOVEL AND POTENT INHIBITORS UNRAVEL PR INDUCED-FIT ADAPTATIONS AND SUGGEST DIMER FORMATION SUBSTRATE BINDING. J.MOL.BIOL. V. 370 492 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
344 A:900;
 Valid;
 none;
 Ki = 7.9 uM
201.185 C9 H7 N5 O c1c2c...
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: 344; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 344 1 1
2 2WU 0.47619 0.955556
3 BGU 0.421875 1
4 S60 0.409091 0.955556
Similar Ligands (3D)
Ligand no: 1; Ligand: 344; Similar ligands found: 817
No: Ligand Similarity coefficient
1 6QF 0.9752
2 ANC 0.9723
3 8NX 0.9688
4 JG8 0.9668
5 2K8 0.9666
6 BPY 0.9622
7 6FB 0.9577
8 JP2 0.9565
9 BZE 0.9564
10 HHS 0.9559
11 BZJ 0.9559
12 3QV 0.9547
13 CH9 0.9537
14 AN3 0.9535
15 ZYR 0.9525
16 FDR 0.9504
17 PH2 0.9501
18 N0Z 0.9500
19 4BL 0.9485
20 3J8 0.9483
21 K97 0.9463
22 AY4 0.9459
23 ESI 0.9452
24 JTA 0.9447
25 M3E 0.9442
26 68A 0.9438
27 BPU 0.9436
28 30G 0.9431
29 KTW 0.9430
30 8HC 0.9426
31 12T 0.9424
32 4BY 0.9424
33 AA 0.9423
34 GNM 0.9420
35 0FK 0.9419
36 DRG 0.9419
37 X11 0.9417
38 GNV 0.9415
39 DPT 0.9415
40 363 0.9405
41 ANF 0.9405
42 ZSP 0.9405
43 XDK 0.9402
44 F2W 0.9401
45 5TY 0.9384
46 3ZB 0.9378
47 54X 0.9378
48 QX4 0.9376
49 TIY 0.9373
50 FQX 0.9372
51 3Y7 0.9370
52 LL1 0.9369
53 ROI 0.9368
54 TWO 0.9367
55 2FQ 0.9365
56 GJP 0.9363
57 NAG 0.9363
58 1HN 0.9361
59 DQU 0.9357
60 3R4 0.9356
61 0W1 0.9353
62 N8Y 0.9351
63 DNA 0.9346
64 9UL 0.9345
65 H4B 0.9342
66 4RU 0.9338
67 537 0.9338
68 TT4 0.9338
69 GF4 0.9338
70 KTJ 0.9333
71 XHP 0.9333
72 S98 0.9333
73 L22 0.9327
74 6ME 0.9326
75 9FL 0.9320
76 UNJ 0.9319
77 FF2 0.9318
78 0FO 0.9317
79 9R5 0.9317
80 44V 0.9309
81 THA 0.9309
82 9CA 0.9307
83 V1T 0.9305
84 9AP 0.9305
85 CNI 0.9301
86 428 0.9299
87 LDR 0.9298
88 5VL 0.9297
89 1IT 0.9296
90 1A7 0.9294
91 X0U 0.9289
92 PEY 0.9288
93 WS7 0.9288
94 HQJ 0.9288
95 0XT 0.9286
96 M5H 0.9283
97 CLZ 0.9283
98 EXD 0.9281
99 4MU 0.9279
100 PRL 0.9278
101 HBO 0.9277
102 H5B 0.9274
103 KYA 0.9273
104 8WO 0.9273
105 OTW 0.9272
106 LUM 0.9268
107 0JD 0.9268
108 15N 0.9267
109 VXX 0.9267
110 2GQ 0.9266
111 MQN 0.9265
112 X48 0.9264
113 BIK 0.9263
114 GVG 0.9263
115 B62 0.9261
116 EN1 0.9260
117 4V2 0.9259
118 DX3 0.9259
119 44W 0.9259
120 CK2 0.9258
121 TCR 0.9258
122 3VX 0.9257
123 RKV 0.9255
124 6TZ 0.9255
125 HHR 0.9253
126 MVN 0.9249
127 N91 0.9245
128 HA5 0.9242
129 GNY 0.9241
130 15E 0.9239
131 78Y 0.9238
132 R20 0.9236
133 A29 0.9235
134 ITE 0.9235
135 HRM 0.9232
136 4JQ 0.9230
137 BEA 0.9228
138 J6W 0.9221
139 XM5 0.9221
140 E1T 0.9215
141 EWG 0.9213
142 1Z6 0.9210
143 GZ2 0.9208
144 X0W 0.9206
145 8NB 0.9205
146 DNQ 0.9203
147 MUK 0.9201
148 0FR 0.9200
149 BZ2 0.9199
150 5F8 0.9199
151 8MO 0.9196
152 M1Z 0.9189
153 5RO 0.9188
154 7ZL 0.9187
155 ESX 0.9187
156 BP7 0.9187
157 ESP 0.9186
158 39O 0.9185
159 0TU 0.9182
160 AJY 0.9182
161 A5H 0.9180
162 QIV 0.9179
163 E7S 0.9176
164 9TF 0.9174
165 L5V 0.9173
166 II4 0.9170
167 E1K 0.9170
168 Q71 0.9168
169 CX6 0.9168
170 J9Q 0.9166
171 SG2 0.9164
172 MSR 0.9164
173 97T 0.9157
174 549 0.9155
175 2D2 0.9155
176 2JK 0.9152
177 8W9 0.9152
178 JCZ 0.9152
179 GO2 0.9149
180 ICB 0.9149
181 J5I 0.9148
182 B56 0.9146
183 GHM 0.9146
184 C82 0.9144
185 F40 0.9144
186 NDG 0.9143
187 JR2 0.9142
188 5QY 0.9142
189 ZME 0.9141
190 NRA 0.9140
191 HRD 0.9139
192 KUF 0.9135
193 0N7 0.9135
194 AJV 0.9135
195 27B 0.9134
196 4FF 0.9134
197 6KT 0.9133
198 QBS 0.9132
199 3PF 0.9130
200 WSD 0.9129
201 1KP 0.9128
202 7ME 0.9127
203 6NT 0.9124
204 SLS 0.9124
205 KW8 0.9124
206 IWT 0.9123
207 Y3L 0.9123
208 XCG 0.9122
209 5GT 0.9122
210 4I8 0.9121
211 D48 0.9121
212 FCD 0.9121
213 LEL 0.9120
214 GDL 0.9120
215 0BP 0.9119
216 R9Y 0.9115
217 1VK 0.9113
218 G3E 0.9113
219 BA5 0.9112
220 WUB 0.9111
221 MXD 0.9110
222 DXK 0.9106
223 MUA 0.9102
224 SE2 0.9100
225 XAZ 0.9099
226 KMY 0.9098
227 4YO 0.9097
228 1F1 0.9094
229 5F5 0.9093
230 8ZE 0.9092
231 795 0.9091
232 9ZE 0.9091
233 DK1 0.9089
234 9FE 0.9089
235 PJW 0.9087
236 94W 0.9085
237 HNT 0.9085
238 URC 0.9083
239 WS6 0.9082
240 QBK 0.9082
241 6RQ 0.9080
242 0HO 0.9079
243 9CE 0.9079
244 0F9 0.9078
245 0HN 0.9077
246 N2M 0.9076
247 BNL 0.9076
248 MPV 0.9075
249 VM1 0.9075
250 D3G 0.9072
251 JF8 0.9072
252 K44 0.9071
253 2F6 0.9069
254 AZ9 0.9068
255 20J 0.9068
256 92P 0.9066
257 C9E 0.9066
258 K7H 0.9064
259 2ZM 0.9064
260 G12 0.9062
261 4ME 0.9060
262 SNU 0.9056
263 5FL 0.9055
264 CPZ 0.9055
265 209 0.9055
266 2HU 0.9055
267 DNF 0.9054
268 8XL 0.9053
269 MUR 0.9053
270 KYN 0.9052
271 2LY 0.9051
272 XFE 0.9050
273 F4E 0.9049
274 4KL 0.9049
275 IQ5 0.9049
276 HJH 0.9048
277 TGX 0.9047
278 2O6 0.9046
279 5WT 0.9046
280 NCT 0.9045
281 KJU 0.9045
282 JND 0.9041
283 C2Y 0.9041
284 FHC 0.9040
285 7I2 0.9040
286 TMG 0.9040
287 OCZ 0.9040
288 UFO 0.9038
289 8G6 0.9037
290 3A9 0.9036
291 HQD 0.9036
292 2HC 0.9032
293 75K 0.9031
294 ZYQ 0.9030
295 JGB 0.9029
296 CWJ 0.9028
297 2J1 0.9028
298 5NI 0.9026
299 DIN 0.9023
300 6NI 0.9021
301 5V7 0.9020
302 8TX 0.9020
303 TOF 0.9019
304 3NY 0.9015
305 IL5 0.9015
306 6FZ 0.9014
307 E3X 0.9013
308 B21 0.9013
309 K25 0.9011
310 Z5P 0.9011
311 CKA 0.9009
312 2AK 0.9007
313 0LO 0.9007
314 5GU 0.9005
315 4AU 0.9004
316 VNL 0.9004
317 HX4 0.9003
318 LFN 0.9002
319 PPY 0.9000
320 1DR 0.8998
321 3VQ 0.8997
322 PQ0 0.8997
323 ABI 0.8996
324 MOK 0.8996
325 JRO 0.8995
326 ENO 0.8995
327 AX3 0.8992
328 JBZ 0.8992
329 A7W 0.8992
330 BIO 0.8992
331 5E5 0.8991
332 PQK 0.8991
333 AMR 0.8990
334 TZF 0.8989
335 JY4 0.8988
336 CWS 0.8988
337 0SY 0.8988
338 G14 0.8988
339 8WT 0.8987
340 4TU 0.8987
341 A5E 0.8987
342 JDN 0.8987
343 ARP 0.8986
344 ONR 0.8985
345 ZZA 0.8982
346 IOS 0.8981
347 4AB 0.8981
348 GNJ 0.8980
349 28A 0.8978
350 PUE 0.8978
351 N3W 0.8973
352 0NX 0.8970
353 H2B 0.8970
354 HBI 0.8970
355 7O4 0.8969
356 FLV 0.8968
357 N2I 0.8968
358 86J 0.8966
359 ZEC 0.8966
360 61M 0.8965
361 5LA 0.8964
362 2HQ 0.8964
363 KT7 0.8960
364 52C 0.8960
365 RA7 0.8956
366 APS 0.8954
367 PIY 0.8954
368 226 0.8952
369 SKF 0.8951
370 JF1 0.8950
371 0UL 0.8950
372 MD6 0.8950
373 2KA 0.8948
374 KDV 0.8948
375 LQ2 0.8947
376 TXW 0.8947
377 Q77 0.8944
378 5VJ 0.8943
379 7VP 0.8940
380 FBB 0.8940
381 S0E 0.8939
382 2PK 0.8939
383 1QV 0.8938
384 PIM 0.8937
385 B5D 0.8936
386 ZHA 0.8934
387 6ZW 0.8934
388 R2P 0.8933
389 6BL 0.8932
390 JLZ 0.8932
391 EE8 0.8932
392 JU2 0.8931
393 DHB 0.8931
394 0P6 0.8931
395 ES2 0.8929
396 AJG 0.8928
397 GVY 0.8928
398 INO 0.8926
399 7AP 0.8923
400 DDU 0.8923
401 P4L 0.8922
402 4HB 0.8922
403 JWS 0.8922
404 Q0K 0.8921
405 SQ4 0.8920
406 5TZ 0.8916
407 GO8 0.8915
408 4AA 0.8915
409 PRF 0.8914
410 3VS 0.8913
411 1QP 0.8912
412 MS9 0.8911
413 ODK 0.8911
414 4NB 0.8909
415 IQZ 0.8909
416 8CM 0.8908
417 K2T 0.8908
418 1P8 0.8907
419 GDE 0.8905
420 YE7 0.8904
421 X8D 0.8901
422 MRW 0.8898
423 B55 0.8897
424 36Y 0.8897
425 QMS 0.8896
426 AJ2 0.8896
427 M6N 0.8896
428 H33 0.8896
429 878 0.8896
430 STT 0.8894
431 L03 0.8893
432 P80 0.8891
433 SYA 0.8891
434 MZM 0.8891
435 J9N 0.8889
436 PE0 0.8888
437 ZRK 0.8887
438 AQO 0.8887
439 5JQ 0.8885
440 5GV 0.8884
441 HJ7 0.8884
442 MAJ 0.8882
443 OQC 0.8882
444 AH9 0.8882
445 LI6 0.8881
446 FHB 0.8881
447 VGD 0.8881
448 J9T 0.8880
449 BTY 0.8879
450 CSN 0.8879
451 5JL 0.8877
452 NKI 0.8877
453 J1K 0.8876
454 F31 0.8876
455 GI3 0.8875
456 APZ 0.8874
457 7B3 0.8873
458 M6P 0.8872
459 SNO 0.8872
460 ALE 0.8872
461 2PV 0.8872
462 4A3 0.8872
463 JAW 0.8870
464 TJM 0.8870
465 W29 0.8869
466 NNO 0.8869
467 BDP 0.8866
468 4NO 0.8866
469 TYL 0.8866
470 SQ7 0.8865
471 ET2 0.8865
472 BHQ 0.8864
473 4LW 0.8863
474 4XF 0.8862
475 PMP 0.8862
476 CLW 0.8857
477 8D6 0.8855
478 K68 0.8855
479 IAC 0.8854
480 2D3 0.8854
481 H4E 0.8854
482 EMO 0.8853
483 3HM 0.8853
484 U7E 0.8853
485 VC3 0.8852
486 36R 0.8852
487 IV2 0.8852
488 7FF 0.8851
489 1FE 0.8851
490 RGK 0.8850
491 28N 0.8850
492 AH6 0.8850
493 3D8 0.8850
494 1ZC 0.8850
495 JF2 0.8847
496 J9W 0.8846
497 4GU 0.8846
498 EVF 0.8842
499 MS0 0.8840
500 CHB 0.8840
501 P7Y 0.8840
502 9KT 0.8839
503 22L 0.8839
504 B4O 0.8838
505 SRO 0.8836
506 2QC 0.8836
507 BHS 0.8836
508 M5K 0.8834
509 M1Q 0.8833
510 8XQ 0.8830
511 1V1 0.8830
512 4NC 0.8830
513 4WL 0.8828
514 TTL 0.8828
515 WLH 0.8827
516 OCH 0.8826
517 CXH 0.8825
518 CHQ 0.8824
519 8IG 0.8823
520 NDD 0.8822
521 93K 0.8821
522 2J2 0.8821
523 2UZ 0.8821
524 PNZ 0.8820
525 A7H 0.8820
526 P9P 0.8818
527 A73 0.8818
528 ODO 0.8818
529 6VD 0.8817
530 RVE 0.8816
531 PH3 0.8816
532 582 0.8816
533 YTX 0.8816
534 P9E 0.8816
535 H42 0.8815
536 COU 0.8815
537 KF5 0.8815
538 JB8 0.8813
539 12Q 0.8812
540 N7I 0.8811
541 FZM 0.8810
542 1V3 0.8810
543 3Z8 0.8809
544 49P 0.8809
545 XX2 0.8808
546 XIY 0.8807
547 6DP 0.8807
548 7WR 0.8805
549 Q24 0.8805
550 OSB 0.8805
551 SYV 0.8805
552 DUR 0.8804
553 5OO 0.8804
554 4HC 0.8804
555 27M 0.8804
556 I6G 0.8803
557 IA2 0.8802
558 7MX 0.8802
559 EV2 0.8801
560 1L5 0.8801
561 1Z8 0.8799
562 LR5 0.8799
563 RNO 0.8799
564 ZZZ 0.8799
565 MYJ 0.8798
566 INE 0.8797
567 SKM 0.8796
568 JYB 0.8796
569 DNC 0.8796
570 5VM 0.8796
571 4P5 0.8795
572 692 0.8795
573 BBY 0.8792
574 PLP 0.8791
575 NID 0.8789
576 ANN 0.8789
577 MEW 0.8789
578 6E8 0.8789
579 BGP 0.8789
580 2HO 0.8789
581 HIS 0.8788
582 X0V 0.8787
583 TR4 0.8786
584 4ZA 0.8784
585 LT2 0.8784
586 C8O 0.8782
587 CCV 0.8780
588 IHB 0.8778
589 A1Y 0.8777
590 1M2 0.8775
591 HNQ 0.8774
592 TXQ 0.8773
593 4AN 0.8773
594 QMR 0.8772
595 6MW 0.8772
596 KLV 0.8771
597 QSB 0.8771
598 2BG 0.8771
599 H70 0.8770
600 MAQ 0.8770
601 2AQ 0.8768
602 A5Q 0.8765
603 AZ8 0.8765
604 0FN 0.8765
605 JTH 0.8765
606 JMG 0.8763
607 HC4 0.8763
608 069 0.8761
609 AP4 0.8759
610 G6P 0.8759
611 HKD 0.8759
612 P9I 0.8757
613 F5C 0.8756
614 5XC 0.8756
615 DCZ 0.8755
616 PXL 0.8755
617 GZL 0.8755
618 4FS 0.8754
619 FTV 0.8754
620 7W1 0.8754
621 TCA 0.8753
622 HQT 0.8752
623 IPD 0.8752
624 60L 0.8751
625 4Z4 0.8751
626 ES5 0.8751
627 9TW 0.8751
628 JAH 0.8750
629 36E 0.8750
630 VK3 0.8750
631 R6T 0.8749
632 657 0.8749
633 5QX 0.8748
634 EGR 0.8747
635 7MU 0.8747
636 XQK 0.8747
637 1X8 0.8746
638 B60 0.8745
639 THM 0.8745
640 03V 0.8745
641 KKN 0.8744
642 0J4 0.8742
643 JB5 0.8741
644 W81 0.8740
645 20D 0.8740
646 492 0.8740
647 BQ2 0.8737
648 F4K 0.8736
649 1WC 0.8734
650 S0D 0.8733
651 SKA 0.8733
652 XQ0 0.8732
653 DHC 0.8732
654 I3E 0.8731
655 3TC 0.8730
656 FER 0.8730
657 4VY 0.8730
658 3AE 0.8727
659 8HH 0.8727
660 1FL 0.8723
661 M78 0.8723
662 5NS 0.8720
663 39Z 0.8720
664 YZ9 0.8720
665 5AD 0.8720
666 C53 0.8719
667 H05 0.8719
668 D2G 0.8718
669 DX1 0.8718
670 TIA 0.8717
671 KP2 0.8716
672 6X9 0.8715
673 LDC 0.8715
674 DRL 0.8714
675 RH1 0.8713
676 PIQ 0.8713
677 EA1 0.8713
678 L99 0.8712
679 KJH 0.8712
680 BBK 0.8710
681 25F 0.8710
682 XDE 0.8710
683 833 0.8710
684 9KZ 0.8710
685 67X 0.8709
686 2JX 0.8705
687 RXA 0.8705
688 QQQ 0.8705
689 S7J 0.8704
690 V2Z 0.8703
691 2FX 0.8702
692 LNR 0.8701
693 ES7 0.8700
694 EUE 0.8700
695 A6W 0.8697
696 CTL 0.8697
697 K32 0.8696
698 LJ3 0.8695
699 ZEA 0.8694
700 173 0.8692
701 FBF 0.8689
702 ICO 0.8688
703 BZ3 0.8688
704 DFL 0.8687
705 4NZ 0.8687
706 FGZ 0.8685
707 DMD 0.8685
708 NQ 0.8685
709 ISN 0.8681
710 NDH 0.8681
711 36M 0.8680
712 QUS 0.8675
713 5WV 0.8675
714 5OF 0.8675
715 TZM 0.8674
716 FUD 0.8674
717 92G 0.8674
718 1V4 0.8672
719 55D 0.8669
720 IDZ 0.8667
721 3ID 0.8666
722 4R1 0.8665
723 5OB 0.8665
724 QSH 0.8664
725 OA3 0.8663
726 6Q3 0.8661
727 37T 0.8660
728 774 0.8660
729 YE6 0.8660
730 PRZ 0.8659
731 M3F 0.8658
732 LZ2 0.8655
733 PD2 0.8654
734 PO6 0.8653
735 HH6 0.8653
736 4G2 0.8651
737 K22 0.8650
738 UFV 0.8650
739 5RN 0.8649
740 DPZ 0.8649
741 5NN 0.8646
742 5VU 0.8646
743 MNX 0.8645
744 5RP 0.8645
745 MR6 0.8644
746 M4E 0.8643
747 TRP 0.8640
748 64C 0.8639
749 AJ1 0.8639
750 FYR 0.8638
751 62D 0.8637
752 L15 0.8637
753 6PB 0.8636
754 19E 0.8636
755 AVX 0.8635
756 1XA 0.8632
757 I2E 0.8630
758 LDP 0.8630
759 IOP 0.8630
760 091 0.8626
761 7W4 0.8616
762 RUY 0.8616
763 ZYV 0.8613
764 FDB 0.8613
765 56D 0.8610
766 DBQ 0.8610
767 XI7 0.8609
768 MNS 0.8607
769 QR2 0.8607
770 IFP 0.8603
771 2LW 0.8603
772 CWM 0.8602
773 PHE 0.8600
774 P81 0.8600
775 NEU 0.8598
776 QPR 0.8597
777 A2G 0.8596
778 7MW 0.8595
779 XIZ 0.8594
780 DAH 0.8591
781 FA0 0.8590
782 CFA 0.8590
783 SZ5 0.8590
784 CB1 0.8588
785 LO1 0.8587
786 4M0 0.8587
787 OVM 0.8586
788 M3H 0.8583
789 JA8 0.8583
790 Z21 0.8582
791 D9Z 0.8582
792 RHN 0.8581
793 4A5 0.8580
794 2B4 0.8580
795 K37 0.8579
796 4FH 0.8579
797 CTD 0.8578
798 DOB 0.8572
799 ZRL 0.8571
800 L07 0.8571
801 1AJ 0.8570
802 SWX 0.8570
803 7ZE 0.8570
804 BHA 0.8562
805 CZ0 0.8561
806 3F4 0.8560
807 MMJ 0.8555
808 ACE TRP 0.8550
809 4NP 0.8549
810 GI1 0.8549
811 6L6 0.8546
812 AH3 0.8544
813 92O 0.8544
814 C4E 0.8540
815 4JT 0.8537
816 F9Y 0.8535
817 5P3 0.8515
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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