Receptor
PDB id Resolution Class Description Source Keywords
4PUK 1.49 Å EC: 2.4.2.29 TRNA-GUANINE TRANSGLYCOSYLASE (TGT) IN COMPLEX WITH 6-AMINO- (METHYLAMINO)-1H,7H,8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE ZYMOMONAS MOBILIS SUBSP. MOBILIS TRANSFERASE GUANINE EXCHANGE ENZYME GUANINE PREQ1 TRNA TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: CHASING PROTONS: HOW ISOTHERMAL TITRATION CALORIMET MUTAGENESIS, AND PKA CALCULATIONS TRACE THE LOCUS O IN LIGAND BINDING TO A TRNA-BINDING ENZYME. J.MED.CHEM. V. 57 5554 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:404;
A:403;
A:402;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
2WU A:405;
Valid;
none;
Kd = 52.4 nM
230.226 C10 H10 N6 O CNc1[...
ZN A:401;
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: 2WU; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 2WU 1 1
2 62D 0.578125 0.846154
3 E4E 0.565789 0.681818
4 CKR 0.552632 0.632353
5 S79 0.525 0.86
6 BGU 0.516129 0.955556
7 S60 0.5 0.956522
8 K7H 0.492308 0.77551
9 HRD 0.492308 0.956522
10 344 0.47619 0.955556
11 E48 0.467391 0.647059
12 S98 0.432099 0.811321
13 6OK 0.426829 0.716667
14 ITE 0.426471 0.955556
15 K75 0.424658 0.791667
16 2MQ 0.407895 0.833333
17 PK3 0.402597 0.789474
Similar Ligands (3D)
Ligand no: 1; Ligand: 2WU; Similar ligands found: 640
No: Ligand Similarity coefficient
1 H4B 0.9590
2 LUM 0.9566
3 PRL 0.9565
4 ZSP 0.9497
5 HRM 0.9423
6 5WT 0.9422
7 NRA 0.9411
8 RGK 0.9410
9 1DR 0.9401
10 QIV 0.9389
11 NKI 0.9383
12 DFL 0.9383
13 20D 0.9379
14 1V1 0.9368
15 JRO 0.9353
16 A5H 0.9340
17 6FB 0.9335
18 A73 0.9332
19 BMZ 0.9327
20 08C 0.9324
21 ZRK 0.9315
22 MUX 0.9310
23 A63 0.9309
24 ZHA 0.9308
25 0SY 0.9301
26 Q0K 0.9296
27 NEU 0.9289
28 KLV 0.9287
29 LFN 0.9285
30 JCZ 0.9271
31 25F 0.9269
32 2PV 0.9264
33 GEN 0.9263
34 MPU 0.9261
35 S0D 0.9260
36 SZ5 0.9257
37 6QF 0.9257
38 ZEA 0.9247
39 ANC 0.9247
40 OLU 0.9246
41 BHS 0.9246
42 2PK 0.9236
43 AH9 0.9232
44 WLH 0.9231
45 IDZ 0.9229
46 N91 0.9227
47 27F 0.9227
48 3F4 0.9217
49 AJG 0.9217
50 YE6 0.9214
51 X0U 0.9211
52 4ZF 0.9210
53 F40 0.9208
54 MR6 0.9207
55 1UZ 0.9204
56 H2B 0.9199
57 HBI 0.9199
58 FF2 0.9192
59 CX6 0.9191
60 BIO 0.9190
61 4CN 0.9180
62 Y3L 0.9180
63 4AB 0.9179
64 DX7 0.9168
65 7AP 0.9166
66 0UL 0.9161
67 UAY 0.9160
68 2J1 0.9160
69 MR4 0.9160
70 HBO 0.9159
71 A5Q 0.9152
72 YE7 0.9151
73 801 0.9149
74 AGI 0.9147
75 Z94 0.9142
76 E3X 0.9141
77 OA4 0.9140
78 JAH 0.9137
79 JF8 0.9136
80 3QV 0.9135
81 WS7 0.9134
82 CR4 0.9132
83 YZ9 0.9132
84 N0Z 0.9125
85 5VU 0.9122
86 47V 0.9115
87 AH6 0.9111
88 BIK 0.9109
89 120 0.9107
90 9CE 0.9106
91 8G6 0.9104
92 124 0.9104
93 XCG 0.9098
94 2K8 0.9091
95 272 0.9091
96 27M 0.9088
97 EMO 0.9086
98 TMG 0.9082
99 1FL 0.9081
100 UN9 0.9079
101 ZRL 0.9078
102 5TY 0.9069
103 4FF 0.9066
104 9JT 0.9064
105 28A 0.9060
106 3VX 0.9060
107 WV7 0.9059
108 II4 0.9059
109 91F 0.9052
110 0NJ 0.9051
111 8M5 0.9051
112 397 0.9050
113 7L4 0.9049
114 97K 0.9049
115 CNI 0.9045
116 5SJ 0.9044
117 NEO 0.9043
118 6SD 0.9039
119 AN3 0.9038
120 KLS 0.9038
121 U13 0.9037
122 5TT 0.9035
123 FQX 0.9033
124 EES 0.9033
125 5GV 0.9032
126 4UM 0.9030
127 4HB 0.9029
128 2P3 0.9028
129 M3W 0.9028
130 M83 0.9027
131 HHS 0.9027
132 4GU 0.9024
133 ERZ 0.9024
134 E1K 0.9021
135 78Y 0.9021
136 2JX 0.9021
137 J38 0.9019
138 LR8 0.9018
139 X48 0.9018
140 MBT 0.9017
141 9OF 0.9017
142 HH6 0.9015
143 26C 0.9014
144 1FE 0.9013
145 NDD 0.9013
146 BX4 0.9011
147 1V3 0.9010
148 1V0 0.9010
149 DNQ 0.9009
150 GOE 0.9007
151 DT7 0.9007
152 F36 0.9005
153 J1K 0.9005
154 18E 0.9004
155 4AU 0.9003
156 3Y7 0.9003
157 FYR 0.9003
158 DRG 0.8999
159 AP6 0.8999
160 PH2 0.8998
161 5OR 0.8998
162 6TJ 0.8997
163 AVX 0.8997
164 JP2 0.8997
165 2D2 0.8995
166 B21 0.8994
167 1UR 0.8994
168 WS6 0.8993
169 122 0.8992
170 1V4 0.8989
171 1V8 0.8987
172 B1J 0.8986
173 3J8 0.8986
174 1ZC 0.8985
175 2GQ 0.8984
176 W8L 0.8984
177 RSV 0.8983
178 WG8 0.8982
179 ZTW 0.8982
180 CDJ 0.8981
181 0FR 0.8980
182 5XL 0.8979
183 MR5 0.8978
184 5E5 0.8975
185 BBY 0.8975
186 ZYQ 0.8974
187 HNT 0.8972
188 H2W 0.8972
189 L2K 0.8969
190 FBC 0.8969
191 LOT 0.8969
192 1UT 0.8968
193 DXK 0.8968
194 363 0.8967
195 H75 0.8966
196 3D8 0.8966
197 1BW 0.8964
198 GVI 0.8963
199 X2M 0.8961
200 GNV 0.8961
201 P4L 0.8961
202 JTA 0.8957
203 GNM 0.8957
204 SWX 0.8955
205 802 0.8954
206 C4E 0.8953
207 F18 0.8953
208 A05 0.8951
209 2QU 0.8949
210 0OK 0.8949
211 7EH 0.8949
212 4NR 0.8948
213 4I8 0.8947
214 PIQ 0.8944
215 BPY 0.8942
216 6ZW 0.8940
217 F2W 0.8939
218 M3F 0.8939
219 RHN 0.8939
220 P4T 0.8938
221 9TF 0.8938
222 X0W 0.8938
223 VT3 0.8937
224 BPU 0.8935
225 6DQ 0.8935
226 NAG 0.8934
227 FHV 0.8934
228 KMY 0.8931
229 8NX 0.8930
230 6P3 0.8930
231 IQ5 0.8930
232 BP7 0.8929
233 AJ1 0.8928
234 7FU 0.8927
235 GO2 0.8927
236 0LA 0.8926
237 U4J 0.8926
238 KF5 0.8926
239 EST 0.8925
240 TID 0.8924
241 9R5 0.8923
242 3R4 0.8923
243 RDT 0.8922
244 B2E 0.8921
245 AO 0.8920
246 CG 0.8919
247 8NB 0.8916
248 F02 0.8915
249 A6W 0.8914
250 FER 0.8914
251 MUK 0.8914
252 121 0.8914
253 LR2 0.8912
254 6T5 0.8911
255 EQU 0.8911
256 A8D 0.8909
257 CUE 0.8907
258 3VS 0.8907
259 TCR 0.8906
260 JWS 0.8904
261 5V7 0.8904
262 NAR 0.8901
263 5WW 0.8899
264 BZE 0.8899
265 PQM 0.8898
266 697 0.8897
267 92O 0.8897
268 9KZ 0.8894
269 3JC 0.8894
270 FZM 0.8892
271 MUR 0.8891
272 NU3 0.8890
273 39Z 0.8888
274 57D 0.8888
275 ZME 0.8884
276 NPS 0.8883
277 2QV 0.8883
278 833 0.8879
279 RKV 0.8878
280 VUP 0.8878
281 WUB 0.8878
282 4FE 0.8878
283 GZ2 0.8876
284 A64 0.8876
285 8UY 0.8875
286 NIF 0.8874
287 3VQ 0.8873
288 FCD 0.8872
289 5ER 0.8871
290 VC3 0.8870
291 E9L 0.8870
292 FSU 0.8865
293 4BL 0.8865
294 BZJ 0.8864
295 ANF 0.8864
296 EAE 0.8864
297 Z21 0.8864
298 68A 0.8863
299 M9K 0.8862
300 A9B 0.8861
301 LL1 0.8860
302 8V8 0.8860
303 O53 0.8858
304 5NN 0.8858
305 CHQ 0.8857
306 27K 0.8857
307 GVY 0.8856
308 9NB 0.8853
309 JG8 0.8853
310 CK2 0.8849
311 L3L 0.8849
312 3WL 0.8846
313 20N 0.8843
314 AA 0.8843
315 THA 0.8841
316 1Z6 0.8839
317 GJK 0.8839
318 3ZB 0.8838
319 4BY 0.8838
320 SDN 0.8838
321 DPT 0.8834
322 1EB 0.8832
323 LDC 0.8831
324 B23 0.8831
325 0K7 0.8830
326 2QC 0.8830
327 041 0.8830
328 C53 0.8828
329 2FX 0.8828
330 0FK 0.8828
331 OCZ 0.8826
332 KMP 0.8825
333 D9Z 0.8824
334 CTE 0.8822
335 H35 0.8821
336 RVE 0.8821
337 M3E 0.8819
338 6KT 0.8819
339 AQN 0.8818
340 MXD 0.8818
341 IQW 0.8818
342 TXQ 0.8817
343 6H2 0.8816
344 V1T 0.8816
345 6VW 0.8814
346 8SK 0.8812
347 F5C 0.8812
348 5TU 0.8811
349 IDD 0.8811
350 A7H 0.8810
351 LI7 0.8810
352 IQZ 0.8810
353 92G 0.8810
354 1Q1 0.8809
355 1XS 0.8809
356 549 0.8809
357 G2V 0.8808
358 TJM 0.8807
359 3N0 0.8807
360 X0T 0.8807
361 Q5M 0.8806
362 7G2 0.8805
363 245 0.8805
364 ALE 0.8802
365 P83 0.8802
366 CDY 0.8801
367 OQC 0.8801
368 G14 0.8801
369 S7D 0.8800
370 3D3 0.8800
371 L03 0.8799
372 GB4 0.8798
373 5B2 0.8796
374 38E 0.8793
375 XYP XYP 0.8792
376 Q9T 0.8792
377 GNY 0.8791
378 5AD 0.8790
379 FNT 0.8790
380 ENO 0.8789
381 MD6 0.8789
382 428 0.8789
383 DUR 0.8788
384 8HH 0.8788
385 3Q0 0.8786
386 GZV 0.8785
387 L15 0.8784
388 7KE 0.8781
389 AES 0.8780
390 GF4 0.8780
391 72G 0.8780
392 HFT 0.8777
393 LO1 0.8776
394 5F8 0.8776
395 AOY 0.8775
396 IA2 0.8774
397 2JK 0.8773
398 KWV 0.8771
399 A6Z 0.8771
400 4BX 0.8770
401 E7S 0.8770
402 6ZE 0.8768
403 GO8 0.8768
404 6BK 0.8767
405 DX8 0.8762
406 9UL 0.8761
407 ZAR 0.8761
408 RA7 0.8760
409 JGB 0.8760
410 KU1 0.8759
411 JA5 0.8756
412 X11 0.8756
413 BA5 0.8755
414 5GT 0.8754
415 XYS XYP 0.8754
416 AOX 0.8754
417 CWE 0.8753
418 0DF 0.8753
419 3GX 0.8752
420 5H6 0.8751
421 7FZ 0.8751
422 6Q3 0.8748
423 JBZ 0.8748
424 54X 0.8748
425 RCV 0.8747
426 GNG 0.8745
427 NYJ 0.8744
428 657 0.8743
429 537 0.8743
430 7G0 0.8741
431 UNJ 0.8741
432 ODK 0.8741
433 1HP 0.8740
434 4V2 0.8740
435 EN1 0.8740
436 KTJ 0.8734
437 4FC 0.8733
438 MHB 0.8733
439 49P 0.8732
440 5TZ 0.8731
441 68C 0.8730
442 ZIP 0.8729
443 DHT 0.8728
444 5SD 0.8726
445 15E 0.8725
446 29F 0.8724
447 KLE 0.8721
448 H32 0.8721
449 XAV 0.8721
450 DT9 0.8717
451 244 0.8715
452 MJW 0.8714
453 NE2 0.8714
454 TES 0.8713
455 STL 0.8712
456 338 0.8711
457 TR4 0.8710
458 LC1 0.8709
459 52F 0.8708
460 GJP 0.8708
461 M4N 0.8707
462 NK5 0.8706
463 ZZA 0.8706
464 KTW 0.8706
465 1AJ 0.8705
466 VXX 0.8705
467 57U 0.8704
468 907 0.8704
469 ESI 0.8704
470 DCZ 0.8703
471 KP2 0.8703
472 AY4 0.8701
473 OQR 0.8701
474 5FL 0.8700
475 E6Q 0.8700
476 8W9 0.8700
477 AOM 0.8699
478 CIY 0.8699
479 NDG 0.8698
480 FMQ 0.8697
481 BVS 0.8697
482 D8Q 0.8697
483 DAH 0.8696
484 IXG 0.8696
485 7EL 0.8695
486 AV6 0.8695
487 GNJ 0.8695
488 EXD 0.8694
489 VM1 0.8694
490 6JM 0.8693
491 N2M 0.8693
492 EY2 0.8692
493 1HN 0.8691
494 V2Z 0.8690
495 B7H 0.8690
496 WA1 0.8689
497 ASD 0.8689
498 2J2 0.8687
499 06R 0.8686
500 4F8 0.8685
501 IIH 0.8685
502 5WK 0.8685
503 K3D 0.8684
504 5XM 0.8681
505 J3Z 0.8680
506 334 0.8678
507 XM5 0.8678
508 GB5 0.8677
509 0LO 0.8677
510 IK1 0.8677
511 LU2 0.8676
512 BRY 0.8675
513 SNV 0.8675
514 1QV 0.8675
515 N7I 0.8675
516 GDL 0.8673
517 1VK 0.8672
518 JY4 0.8667
519 8MO 0.8667
520 55D 0.8666
521 J6W 0.8665
522 IXM 0.8665
523 SQM 0.8665
524 1OT 0.8664
525 SJK 0.8664
526 8HC 0.8664
527 1A7 0.8664
528 0XR 0.8664
529 R18 0.8663
530 G6P 0.8661
531 CMG 0.8661
532 17M 0.8660
533 BJ4 0.8659
534 80G 0.8659
535 CLI 0.8659
536 WSD 0.8656
537 AND 0.8654
538 DDU 0.8654
539 EI1 0.8653
540 1EL 0.8653
541 3D1 0.8653
542 NQ8 0.8653
543 CZ0 0.8652
544 FDR 0.8651
545 QBP 0.8651
546 9FG 0.8651
547 78P 0.8651
548 W2E 0.8650
549 A26 0.8650
550 QUE 0.8649
551 MFR 0.8648
552 7MW 0.8647
553 TRP 0.8647
554 EZL 0.8645
555 ZEC 0.8643
556 2OX 0.8642
557 8D6 0.8642
558 L22 0.8640
559 72E 0.8640
560 BBP 0.8637
561 5BX 0.8637
562 1YL 0.8637
563 GW3 0.8637
564 30G 0.8636
565 31F 0.8635
566 E1T 0.8635
567 A9H 0.8634
568 JL7 0.8634
569 AJD 0.8634
570 XYS XYS 0.8634
571 4G2 0.8633
572 ANB 0.8632
573 AXX 0.8631
574 123 0.8631
575 PUE 0.8628
576 AWE 0.8627
577 M78 0.8627
578 DHC 0.8625
579 BGP 0.8623
580 ZYR 0.8623
581 8CC 0.8622
582 A51 0.8621
583 15Q 0.8619
584 613 0.8617
585 H70 0.8615
586 3L1 0.8614
587 MBP 0.8611
588 OAQ 0.8611
589 4RU 0.8606
590 UN4 0.8602
591 FT2 0.8602
592 LEL 0.8600
593 H4B NO 0.8600
594 5E1 0.8600
595 HC8 0.8599
596 A5E 0.8598
597 AD6 0.8598
598 F08 0.8597
599 QC1 0.8597
600 R9Y 0.8595
601 GHM 0.8595
602 O9T 0.8594
603 KYN 0.8593
604 TIY 0.8593
605 5P3 0.8592
606 IOP 0.8591
607 PLP 0.8589
608 B0K 0.8588
609 FSE 0.8587
610 ARP 0.8586
611 2UV 0.8586
612 BHM 0.8585
613 DK1 0.8583
614 AMR 0.8582
615 ALR 0.8578
616 SG2 0.8577
617 ADL 0.8575
618 K25 0.8574
619 3SU 0.8573
620 9CA 0.8572
621 S0E 0.8569
622 CSN 0.8568
623 0W1 0.8567
624 J45 0.8566
625 MFZ 0.8558
626 P9I 0.8551
627 113 0.8549
628 1KP 0.8546
629 1IT 0.8545
630 MRI 0.8540
631 HX4 0.8540
632 9AP 0.8540
633 1R5 0.8536
634 6DH 0.8530
635 K44 0.8524
636 DBE 0.8523
637 3AK 0.8522
638 9ZE 0.8521
639 MRE 0.8518
640 IBP 0.8511
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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