Receptor
PDB id Resolution Class Description Source Keywords
4Q4S 1.25 Å EC: 2.4.2.29 TRNA-GUANINE TRANSGLYCOSYLASE (TGT) IN COMPLEX WITH 6-AMINO- [(THIOPHEN-2-YLMETHYL)AMINO]-1H,7H,8H-IMIDAZO[4,5-G]QUINAZO ZYMOMONAS MOBILIS SUBSP. MOBILIS TRANSFERASE GUANINE EXCHANGE ENZYME PREQ1 TRNA TRANSFERATRANSFERASE INHIBITOR COMPLEX
Ref.: BEYOND AFFINITY: ENTHALPY-ENTROPY FACTORIZATION UNR COMPLEXITY OF A FLAT STRUCTURE-ACTIVITY RELATIONSHI INHIBITION OF A TRNA-MODIFYING ENZYME. J.MED.CHEM. V. 57 5566 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:404;
A:405;
A:403;
A:402;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
S98 A:406;
 Valid;
 none;
 Kd = 111.6 nM
312.35 C14 H12 N6 O S c1cc(...
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: S98; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 S98 1 1
2 SAQ 0.621951 0.960784
3 6OK 0.556818 0.786885
4 S60 0.487179 0.811321
5 BGU 0.480519 0.843137
6 S79 0.479167 0.941176
7 CKR 0.4375 0.695652
8 2WU 0.432099 0.811321
9 E4E 0.418367 0.695652
Similar Ligands (3D)
Ligand no: 1; Ligand: S98; Similar ligands found: 586
No: Ligand Similarity coefficient
1 K7H 0.9827
2 HRD 0.9761
3 ITE 0.9747
4 PRL 0.9566
5 H4B 0.9561
6 LUM 0.9534
7 ZSP 0.9485
8 RGK 0.9430
9 NKI 0.9423
10 NRA 0.9396
11 5WT 0.9388
12 08C 0.9369
13 HRM 0.9368
14 62D 0.9366
15 1V1 0.9365
16 DFL 0.9364
17 1DR 0.9364
18 QIV 0.9363
19 20D 0.9362
20 A63 0.9357
21 K75 0.9338
22 344 0.9333
23 6FB 0.9330
24 A5H 0.9327
25 A73 0.9321
26 Q0K 0.9308
27 ZRK 0.9304
28 0SY 0.9291
29 6QF 0.9275
30 25F 0.9268
31 ANC 0.9267
32 ZHA 0.9261
33 LFN 0.9260
34 WLH 0.9259
35 N91 0.9254
36 4ZF 0.9253
37 YE6 0.9252
38 2PK 0.9241
39 JRO 0.9240
40 GEN 0.9238
41 ZEA 0.9231
42 MPU 0.9230
43 KLV 0.9230
44 SZ5 0.9227
45 2PV 0.9222
46 27F 0.9215
47 AJG 0.9213
48 S0D 0.9213
49 OLU 0.9211
50 3F4 0.9209
51 Y3L 0.9206
52 IDZ 0.9204
53 X0U 0.9201
54 NEU 0.9198
55 F40 0.9192
56 YE7 0.9191
57 2J1 0.9191
58 3QV 0.9189
59 CX6 0.9183
60 AH9 0.9182
61 MR6 0.9179
62 1UZ 0.9177
63 AGI 0.9174
64 BHS 0.9166
65 4CN 0.9164
66 9CE 0.9162
67 II4 0.9161
68 5VU 0.9160
69 N0Z 0.9156
70 MR4 0.9154
71 BIO 0.9152
72 DX7 0.9151
73 H2B 0.9149
74 0UL 0.9137
75 801 0.9137
76 OA4 0.9135
77 5SJ 0.9134
78 XCG 0.9133
79 WS7 0.9131
80 120 0.9114
81 Z94 0.9112
82 AH6 0.9110
83 47V 0.9108
84 FF2 0.9104
85 BMZ 0.9100
86 9JT 0.9100
87 E3X 0.9098
88 HBI 0.9096
89 HBO 0.9096
90 M83 0.9094
91 UAY 0.9092
92 5TY 0.9090
93 CR4 0.9078
94 7AP 0.9078
95 1FE 0.9077
96 4AB 0.9076
97 8G6 0.9074
98 ZRL 0.9072
99 FQX 0.9070
100 A5Q 0.9064
101 NDD 0.9063
102 F36 0.9060
103 3VX 0.9056
104 1FL 0.9055
105 TMG 0.9054
106 272 0.9054
107 6SD 0.9053
108 YZ9 0.9052
109 CNI 0.9052
110 WV7 0.9049
111 2K8 0.9048
112 JF8 0.9046
113 91F 0.9044
114 HH6 0.9044
115 U13 0.9044
116 JP2 0.9043
117 4FF 0.9043
118 B21 0.9040
119 124 0.9038
120 78Y 0.9031
121 PK3 0.9031
122 W8L 0.9030
123 UN9 0.9030
124 26C 0.9028
125 AN3 0.9028
126 5TT 0.9027
127 1V8 0.9026
128 6ZW 0.9025
129 H2W 0.9023
130 M3W 0.9023
131 EMO 0.9022
132 1V3 0.9021
133 4UM 0.9021
134 AP6 0.9021
135 8M5 0.9020
136 1V0 0.9020
137 CDJ 0.9019
138 LR8 0.9018
139 PH2 0.9017
140 GVI 0.9016
141 18E 0.9016
142 DRG 0.9016
143 27M 0.9015
144 F2W 0.9015
145 JWS 0.9011
146 4AU 0.9008
147 2MQ 0.9005
148 3D8 0.9004
149 397 0.9003
150 0FR 0.9002
151 WS6 0.9001
152 5OR 0.9000
153 3J8 0.9000
154 2D2 0.8998
155 J38 0.8994
156 BQ2 0.8994
157 4HB 0.8993
158 X48 0.8993
159 1UR 0.8991
160 S7D 0.8987
161 M3F 0.8987
162 97K 0.8985
163 RSV 0.8985
164 NEO 0.8984
165 DT7 0.8984
166 OCZ 0.8983
167 JAH 0.8982
168 4I8 0.8982
169 HHS 0.8980
170 2P3 0.8979
171 E1K 0.8979
172 P4T 0.8976
173 28A 0.8975
174 1V4 0.8974
175 GOE 0.8971
176 MR5 0.8968
177 5XL 0.8965
178 8NB 0.8963
179 HNT 0.8959
180 B2E 0.8958
181 4GU 0.8956
182 F02 0.8956
183 BPY 0.8954
184 363 0.8954
185 5GV 0.8954
186 J1K 0.8952
187 1UT 0.8951
188 122 0.8950
189 P4L 0.8949
190 5V7 0.8946
191 PIQ 0.8946
192 2GQ 0.8946
193 ZYQ 0.8946
194 A6W 0.8945
195 BPU 0.8945
196 0NJ 0.8944
197 7L4 0.8944
198 BZE 0.8944
199 DNQ 0.8941
200 FYR 0.8941
201 NAR 0.8941
202 9TF 0.8940
203 FBC 0.8940
204 LR2 0.8940
205 MUK 0.8938
206 GNM 0.8938
207 KF5 0.8937
208 F18 0.8937
209 5WW 0.8937
210 KLS 0.8936
211 ZTW 0.8936
212 2JX 0.8933
213 C4E 0.8927
214 DXK 0.8927
215 1ZC 0.8924
216 ERZ 0.8924
217 7FU 0.8921
218 JTA 0.8920
219 5ER 0.8920
220 GO2 0.8919
221 CG 0.8919
222 6DQ 0.8917
223 RDT 0.8917
224 VT3 0.8917
225 KMY 0.8915
226 SWX 0.8914
227 9OF 0.8913
228 B1J 0.8913
229 A9B 0.8913
230 9R5 0.8911
231 1BW 0.8911
232 CUE 0.8910
233 6TJ 0.8909
234 AVX 0.8908
235 GNV 0.8908
236 TCR 0.8908
237 6P3 0.8907
238 CK2 0.8907
239 3VS 0.8906
240 TID 0.8906
241 E9L 0.8904
242 WG8 0.8904
243 EES 0.8903
244 BP7 0.8903
245 3Y7 0.8902
246 LL1 0.8901
247 NPS 0.8900
248 IQ5 0.8899
249 MUR 0.8897
250 68A 0.8897
251 NU3 0.8896
252 AO 0.8894
253 0LA 0.8893
254 9KZ 0.8893
255 MBT 0.8893
256 3VQ 0.8892
257 GVY 0.8891
258 4BL 0.8887
259 39Z 0.8886
260 BZJ 0.8886
261 802 0.8884
262 57D 0.8880
263 3ZB 0.8878
264 5E5 0.8878
265 4NR 0.8875
266 NAG 0.8875
267 RHN 0.8874
268 U4J 0.8874
269 X0W 0.8873
270 5NN 0.8871
271 EQU 0.8871
272 BBY 0.8870
273 7EH 0.8870
274 VC3 0.8869
275 8NX 0.8868
276 P83 0.8868
277 FHV 0.8865
278 EAE 0.8865
279 CHQ 0.8863
280 27K 0.8862
281 BIK 0.8859
282 A64 0.8858
283 FER 0.8857
284 8UY 0.8857
285 ANF 0.8856
286 2QU 0.8853
287 833 0.8853
288 EST 0.8850
289 697 0.8850
290 FSU 0.8848
291 SDN 0.8847
292 THA 0.8845
293 FZM 0.8842
294 0OK 0.8842
295 3R4 0.8841
296 TXQ 0.8840
297 121 0.8839
298 8SK 0.8839
299 L3L 0.8838
300 3WL 0.8838
301 AA 0.8834
302 OQC 0.8833
303 ZME 0.8832
304 WUB 0.8831
305 A7H 0.8831
306 8V8 0.8827
307 JG8 0.8826
308 4BY 0.8826
309 6KT 0.8824
310 2FX 0.8823
311 92O 0.8822
312 2QV 0.8822
313 3JC 0.8822
314 AJ1 0.8822
315 GZ2 0.8821
316 V1T 0.8819
317 3N0 0.8817
318 7G2 0.8816
319 RVE 0.8815
320 A8D 0.8815
321 IQZ 0.8815
322 LDC 0.8814
323 M9K 0.8813
324 NIF 0.8812
325 Q5M 0.8809
326 1XS 0.8807
327 6H2 0.8807
328 D9Z 0.8807
329 4V2 0.8807
330 GB4 0.8806
331 49P 0.8805
332 8HH 0.8803
333 DT9 0.8803
334 KMP 0.8802
335 X0T 0.8802
336 O53 0.8800
337 GNY 0.8800
338 FCD 0.8794
339 LI7 0.8793
340 245 0.8792
341 GJK 0.8790
342 2QC 0.8790
343 E7S 0.8790
344 1Q1 0.8790
345 F5C 0.8789
346 549 0.8789
347 9UL 0.8789
348 38E 0.8787
349 B23 0.8786
350 A05 0.8785
351 5TZ 0.8784
352 G14 0.8784
353 2JK 0.8783
354 CTE 0.8781
355 DPT 0.8779
356 VUP 0.8778
357 AES 0.8777
358 GZV 0.8776
359 15E 0.8775
360 L03 0.8774
361 ZAR 0.8773
362 EN1 0.8772
363 MXD 0.8771
364 3Q0 0.8771
365 MD6 0.8770
366 6T5 0.8769
367 BX4 0.8769
368 KWV 0.8768
369 RKV 0.8768
370 BA5 0.8767
371 3D3 0.8767
372 LOT 0.8766
373 SJK 0.8764
374 5F8 0.8763
375 JBZ 0.8763
376 Z21 0.8762
377 4FE 0.8762
378 AQN 0.8762
379 6BK 0.8760
380 XAV 0.8760
381 A6Z 0.8758
382 1Z6 0.8757
383 IA2 0.8757
384 N7I 0.8755
385 TJM 0.8754
386 92G 0.8754
387 0DF 0.8753
388 JCZ 0.8752
389 B7H 0.8752
390 20N 0.8751
391 JGB 0.8750
392 JA5 0.8749
393 M3E 0.8749
394 DUR 0.8749
395 XYP XYP 0.8748
396 C9M 0.8748
397 Q9T 0.8743
398 ALE 0.8743
399 HFT 0.8740
400 0FK 0.8740
401 537 0.8740
402 6ZE 0.8740
403 IQW 0.8740
404 041 0.8740
405 0K7 0.8738
406 H35 0.8736
407 57U 0.8735
408 A26 0.8735
409 1EB 0.8734
410 2J2 0.8733
411 428 0.8733
412 54X 0.8732
413 FNT 0.8731
414 GO8 0.8729
415 3GX 0.8727
416 AOX 0.8723
417 C53 0.8721
418 52F 0.8721
419 S7S 0.8721
420 E6Q 0.8718
421 VXX 0.8718
422 ENO 0.8717
423 KU1 0.8717
424 KTW 0.8716
425 5B2 0.8715
426 06R 0.8715
427 6VW 0.8714
428 1HN 0.8713
429 TR4 0.8712
430 ET0 0.8710
431 338 0.8708
432 5GT 0.8706
433 JY4 0.8706
434 J3Z 0.8704
435 7FZ 0.8702
436 NK5 0.8702
437 QBP 0.8702
438 RCV 0.8701
439 5AD 0.8701
440 72G 0.8701
441 5TU 0.8701
442 GDL 0.8700
443 1HP 0.8699
444 GF4 0.8698
445 4BX 0.8698
446 5SD 0.8698
447 XM5 0.8698
448 M4N 0.8697
449 AOY 0.8696
450 ZZA 0.8696
451 8W9 0.8696
452 FDR 0.8695
453 VM1 0.8695
454 5H6 0.8695
455 CIY 0.8695
456 BVS 0.8695
457 ODK 0.8695
458 TES 0.8695
459 ZIP 0.8695
460 TRP 0.8694
461 RA7 0.8694
462 HHR 0.8693
463 DHT 0.8693
464 GJP 0.8692
465 244 0.8692
466 55D 0.8690
467 CWE 0.8690
468 X11 0.8689
469 UNJ 0.8689
470 8MO 0.8689
471 PQM 0.8688
472 ESI 0.8687
473 IXG 0.8686
474 G2V 0.8686
475 5FL 0.8685
476 LU2 0.8685
477 1AJ 0.8683
478 O9Z 0.8683
479 L15 0.8681
480 IDD 0.8681
481 1VK 0.8680
482 EY2 0.8678
483 ADL 0.8678
484 IIH 0.8676
485 GNJ 0.8676
486 15Q 0.8672
487 FMQ 0.8669
488 1QV 0.8668
489 4F8 0.8667
490 ASD 0.8660
491 MHB 0.8659
492 4FC 0.8659
493 R18 0.8659
494 CLI 0.8658
495 7MW 0.8658
496 G6P 0.8658
497 0LO 0.8657
498 LC1 0.8656
499 WSD 0.8656
500 6Q3 0.8654
501 NDG 0.8654
502 KP2 0.8654
503 5WK 0.8654
504 334 0.8653
505 657 0.8651
506 EXD 0.8650
507 AV6 0.8646
508 MJW 0.8645
509 XYS XYP 0.8645
510 FT2 0.8645
511 8D6 0.8641
512 N2M 0.8640
513 AY4 0.8640
514 NE2 0.8640
515 L2K 0.8637
516 XYS XYS 0.8636
517 6DH 0.8635
518 KLE 0.8635
519 UN4 0.8634
520 4RU 0.8634
521 9NB 0.8632
522 B61 0.8632
523 MFR 0.8632
524 D8Q 0.8631
525 72E 0.8630
526 P7V 0.8629
527 A9H 0.8626
528 78P 0.8626
529 BJ4 0.8626
530 L22 0.8625
531 9FG 0.8624
532 2OX 0.8623
533 V2Z 0.8622
534 5BX 0.8622
535 AOM 0.8621
536 B0K 0.8617
537 8HC 0.8616
538 3L1 0.8616
539 ZYR 0.8614
540 LO1 0.8614
541 7EL 0.8610
542 0XR 0.8610
543 ANB 0.8608
544 SQM 0.8608
545 EZL 0.8606
546 F08 0.8606
547 IS2 0.8605
548 H70 0.8604
549 QUE 0.8603
550 W2E 0.8602
551 613 0.8600
552 72D 0.8597
553 2UV 0.8597
554 AND 0.8596
555 8CC 0.8596
556 CMG 0.8593
557 MBP 0.8593
558 BGP 0.8591
559 BBP 0.8591
560 17M 0.8590
561 PUE 0.8586
562 H4B NO 0.8584
563 IK1 0.8584
564 AJD 0.8583
565 AD6 0.8582
566 ADN 0.8582
567 4G2 0.8581
568 DDU 0.8580
569 1A7 0.8579
570 2L2 0.8578
571 AXX 0.8576
572 7G0 0.8570
573 PLP 0.8567
574 A51 0.8562
575 0JD 0.8558
576 GN5 0.8557
577 SNV 0.8556
578 GHM 0.8550
579 4I5 0.8549
580 KYN 0.8548
581 3AK 0.8547
582 3SU 0.8545
583 R9Y 0.8535
584 J45 0.8533
585 BHM 0.8524
586 BXS 0.8514
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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