Receptor
PDB id Resolution Class Description Source Keywords
3C2Y 1.78 Å EC: 2.4.2.29 TRNA-GUANINE TRANSGLYCOSYLASE (TGT) IN COMPLEX WITH 6-AMINO- 1,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE ZYMOMONAS MOBILIS TRANSFERASE TIM BARREL GLYCOSYLTRANSFERASE METAL-BINDINGQUEUOSINE BIOSYNTHESIS TRNA PROCESSING
Ref.: CRYSTAL STRUCTURE ANALYSIS AND IN SILICO PKA CALCUL SUGGEST STRONG PKA SHIFTS OF LIGANDS AS DRIVING FOR HIGH-AFFINITY BINDING TO TGT CHEMBIOCHEM V. 10 716 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:701;
A:702;
A:703;
A:704;
A:705;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
S60 A:400;
 Valid;
 none;
 Ki = 1.5 uM
215.211 C10 H9 N5 O Cc1[n...
ZN A:390;
 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: S60; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 S60 1 1
2 BGU 0.649123 0.955556
3 2WU 0.5 0.956522
4 S98 0.487179 0.811321
5 6OK 0.4625 0.716667
6 344 0.409091 0.955556
7 CKR 0.404762 0.632353
8 E4E 0.4 0.656716
Similar Ligands (3D)
Ligand no: 1; Ligand: S60; Similar ligands found: 714
No: Ligand Similarity coefficient
1 ITE 0.9747
2 6QF 0.9636
3 ANC 0.9628
4 H4B 0.9600
5 HRD 0.9599
6 HRM 0.9560
7 6FB 0.9552
8 ZSP 0.9552
9 PRL 0.9469
10 K7H 0.9469
11 QIV 0.9450
12 3QV 0.9419
13 8NX 0.9415
14 LUM 0.9414
15 JP2 0.9406
16 BPY 0.9397
17 AN3 0.9392
18 FF2 0.9390
19 2K8 0.9385
20 X0U 0.9380
21 A5H 0.9380
22 DRG 0.9379
23 3VX 0.9379
24 N91 0.9378
25 3J8 0.9378
26 HHS 0.9373
27 Y3L 0.9352
28 5WT 0.9351
29 NRA 0.9348
30 BIO 0.9343
31 RGK 0.9338
32 BZE 0.9334
33 NKI 0.9330
34 BPU 0.9328
35 F40 0.9326
36 FQX 0.9324
37 JTA 0.9323
38 JG8 0.9323
39 363 0.9321
40 3R4 0.9318
41 1DR 0.9313
42 PH2 0.9309
43 F2W 0.9298
44 5TY 0.9295
45 GNV 0.9295
46 HBI 0.9288
47 H2B 0.9288
48 WS7 0.9283
49 HBO 0.9281
50 BZJ 0.9274
51 4BL 0.9270
52 4AB 0.9265
53 7L4 0.9260
54 9R5 0.9258
55 4BY 0.9258
56 LL1 0.9256
57 CX6 0.9255
58 Q0K 0.9254
59 3Y7 0.9252
60 CNI 0.9252
61 XCG 0.9248
62 ZRK 0.9244
63 MUK 0.9243
64 WLH 0.9241
65 N0Z 0.9240
66 0FR 0.9240
67 X48 0.9240
68 0SY 0.9239
69 GNM 0.9238
70 ANF 0.9235
71 9CE 0.9234
72 1V1 0.9229
73 AJG 0.9227
74 AA 0.9224
75 68A 0.9223
76 3ZB 0.9219
77 JF8 0.9218
78 E3X 0.9217
79 2PK 0.9217
80 DNQ 0.9217
81 LFN 0.9215
82 2GQ 0.9214
83 M3E 0.9212
84 NAG 0.9210
85 4FF 0.9204
86 BIK 0.9202
87 2J1 0.9202
88 A73 0.9201
89 GO2 0.9198
90 ZHA 0.9197
91 RKV 0.9193
92 YE7 0.9191
93 2D2 0.9191
94 X11 0.9190
95 78Y 0.9189
96 CK2 0.9188
97 7AP 0.9179
98 CH9 0.9173
99 DPT 0.9172
100 2PV 0.9168
101 8NB 0.9167
102 UNJ 0.9167
103 28A 0.9166
104 TXW 0.9166
105 DFL 0.9166
106 54X 0.9166
107 TMG 0.9165
108 20D 0.9164
109 XDK 0.9164
110 0FK 0.9163
111 P4L 0.9159
112 8HC 0.9159
113 V1T 0.9158
114 4V2 0.9158
115 9UL 0.9154
116 KLV 0.9153
117 0UL 0.9151
118 ZYQ 0.9150
119 FCD 0.9150
120 L22 0.9147
121 DXK 0.9146
122 AY4 0.9144
123 537 0.9144
124 KTW 0.9143
125 8G6 0.9142
126 IQ5 0.9139
127 9TF 0.9137
128 THA 0.9137
129 30G 0.9137
130 KTJ 0.9133
131 JRO 0.9132
132 HNT 0.9131
133 1Z6 0.9130
134 4I8 0.9130
135 4HB 0.9127
136 GZ2 0.9127
137 GF4 0.9125
138 N8Y 0.9124
139 YE6 0.9122
140 ZYR 0.9120
141 1FE 0.9113
142 12T 0.9113
143 B21 0.9111
144 5F8 0.9110
145 BP7 0.9109
146 GJP 0.9107
147 GNY 0.9105
148 A5Q 0.9102
149 1HN 0.9101
150 E1K 0.9100
151 GVY 0.9100
152 IDZ 0.9097
153 4RU 0.9096
154 3D8 0.9095
155 4AU 0.9093
156 X0W 0.9093
157 FDR 0.9093
158 ESI 0.9092
159 AH9 0.9090
160 5E5 0.9088
161 2JK 0.9088
162 549 0.9085
163 II4 0.9083
164 C82 0.9082
165 6ZW 0.9079
166 6KT 0.9078
167 428 0.9078
168 25F 0.9075
169 7ZL 0.9072
170 J6W 0.9071
171 TIY 0.9069
172 L03 0.9069
173 EXD 0.9068
174 QBS 0.9068
175 8MO 0.9066
176 A63 0.9063
177 E7S 0.9059
178 BHS 0.9057
179 1V3 0.9057
180 EN1 0.9054
181 15E 0.9052
182 ZEA 0.9051
183 TCR 0.9051
184 CXH 0.9047
185 XM5 0.9047
186 9JT 0.9046
187 BA5 0.9045
188 OCZ 0.9045
189 5V7 0.9044
190 S0D 0.9043
191 1FL 0.9039
192 9CA 0.9039
193 MD6 0.9034
194 1IT 0.9032
195 DX7 0.9032
196 B56 0.9030
197 2FQ 0.9030
198 J1K 0.9028
199 5GT 0.9028
200 MXD 0.9025
201 3VS 0.9025
202 M5H 0.9024
203 WS6 0.9023
204 9FL 0.9023
205 1KP 0.9021
206 SZ5 0.9021
207 NEO 0.9017
208 MR6 0.9015
209 NDG 0.9012
210 EWG 0.9009
211 4ZF 0.9008
212 JGB 0.9007
213 E1T 0.9005
214 TWO 0.9004
215 NDD 0.9004
216 ERZ 0.9003
217 AH6 0.9002
218 6TJ 0.9001
219 5FL 0.9001
220 GDL 0.9000
221 TT4 0.8999
222 EE8 0.8995
223 WUB 0.8993
224 3F4 0.8990
225 EMO 0.8987
226 KW8 0.8986
227 FYR 0.8986
228 47V 0.8985
229 VC3 0.8985
230 N2M 0.8984
231 KMY 0.8981
232 VXX 0.8981
233 MSR 0.8980
234 1VK 0.8976
235 5VL 0.8975
236 AJY 0.8974
237 0W1 0.8972
238 5GV 0.8971
239 27M 0.8967
240 SLS 0.8964
241 R9Y 0.8963
242 IQZ 0.8962
243 9AP 0.8961
244 FZM 0.8960
245 8W9 0.8960
246 SG2 0.8959
247 08C 0.8958
248 ARP 0.8958
249 ZRL 0.8958
250 G14 0.8957
251 0JD 0.8956
252 1A7 0.8955
253 VUP 0.8955
254 VM1 0.8954
255 2JX 0.8953
256 0XT 0.8953
257 15N 0.8953
258 DNA 0.8953
259 DK1 0.8950
260 NEU 0.8950
261 ZME 0.8948
262 3VQ 0.8948
263 A6W 0.8946
264 F18 0.8942
265 PEY 0.8942
266 JY4 0.8941
267 HA5 0.8941
268 BBY 0.8940
269 HH6 0.8940
270 1QV 0.8940
271 U13 0.8939
272 HQJ 0.8939
273 26C 0.8939
274 PIQ 0.8938
275 4GU 0.8937
276 ESX 0.8937
277 39Z 0.8936
278 6TZ 0.8936
279 WSD 0.8935
280 ZZA 0.8932
281 5TZ 0.8931
282 2FX 0.8931
283 JBZ 0.8930
284 ALE 0.8930
285 9ZE 0.8929
286 W8L 0.8929
287 ROI 0.8926
288 TJM 0.8925
289 0LO 0.8922
290 RVE 0.8922
291 2P3 0.8921
292 APS 0.8920
293 M3F 0.8919
294 MR4 0.8919
295 GHM 0.8918
296 OQC 0.8918
297 JR2 0.8918
298 R20 0.8917
299 FHC 0.8917
300 SQ7 0.8917
301 FHV 0.8917
302 ZEC 0.8917
303 44W 0.8916
304 49P 0.8916
305 ENO 0.8914
306 1V4 0.8913
307 ESP 0.8912
308 CDJ 0.8911
309 J38 0.8911
310 TXQ 0.8910
311 QX4 0.8910
312 OLU 0.8909
313 8HH 0.8909
314 8ZE 0.8907
315 SQ4 0.8906
316 MQN 0.8906
317 A5E 0.8905
318 H5B 0.8905
319 PUE 0.8903
320 H2W 0.8901
321 LDR 0.8900
322 2QC 0.8900
323 5VU 0.8900
324 CHQ 0.8900
325 6RQ 0.8898
326 6SD 0.8897
327 JWS 0.8896
328 FER 0.8896
329 BZ2 0.8894
330 LOT 0.8894
331 AGI 0.8893
332 ICB 0.8893
333 27B 0.8892
334 A29 0.8891
335 PK3 0.8889
336 SNU 0.8889
337 Z21 0.8889
338 YZ9 0.8887
339 LEL 0.8887
340 27F 0.8887
341 92P 0.8886
342 657 0.8886
343 6DQ 0.8885
344 KYA 0.8885
345 PJW 0.8885
346 4MU 0.8884
347 F4E 0.8882
348 XFE 0.8881
349 B1J 0.8881
350 DT7 0.8880
351 1ZC 0.8880
352 6Q3 0.8880
353 C53 0.8880
354 M1Z 0.8880
355 5RO 0.8880
356 0BP 0.8878
357 CLZ 0.8878
358 GO8 0.8877
359 GNJ 0.8877
360 K25 0.8875
361 7FU 0.8875
362 WV7 0.8874
363 2MQ 0.8873
364 5NN 0.8869
365 LR8 0.8867
366 4XF 0.8866
367 HHR 0.8865
368 ODK 0.8865
369 62D 0.8865
370 GVG 0.8864
371 5SJ 0.8864
372 94W 0.8864
373 S7S 0.8863
374 IL5 0.8862
375 AJ1 0.8861
376 L5V 0.8858
377 MPU 0.8857
378 EAE 0.8856
379 G12 0.8855
380 CKA 0.8854
381 5F5 0.8854
382 GB4 0.8852
383 92O 0.8850
384 DQU 0.8849
385 MUR 0.8849
386 9KZ 0.8847
387 2O6 0.8847
388 DCZ 0.8846
389 4JQ 0.8845
390 KF5 0.8844
391 91F 0.8842
392 D3G 0.8842
393 A7H 0.8842
394 DDU 0.8842
395 272 0.8840
396 MPV 0.8840
397 9OF 0.8840
398 9FE 0.8840
399 S0E 0.8838
400 CPZ 0.8838
401 UAY 0.8838
402 1XS 0.8837
403 795 0.8836
404 8XL 0.8836
405 IWT 0.8834
406 8D6 0.8834
407 PPY 0.8830
408 GEN 0.8828
409 0FO 0.8826
410 GVI 0.8824
411 CWJ 0.8824
412 7O4 0.8823
413 P4T 0.8822
414 6ME 0.8821
415 K75 0.8821
416 TZF 0.8821
417 4KL 0.8821
418 4CN 0.8820
419 SJK 0.8818
420 KLS 0.8818
421 92G 0.8818
422 697 0.8818
423 NIF 0.8817
424 BNL 0.8815
425 22L 0.8815
426 KYN 0.8814
427 A9B 0.8814
428 DX3 0.8814
429 GOE 0.8813
430 0TU 0.8812
431 833 0.8810
432 HX4 0.8810
433 7ME 0.8809
434 DUR 0.8809
435 4TU 0.8809
436 C4E 0.8808
437 JF1 0.8808
438 AMR 0.8807
439 AVX 0.8807
440 1EB 0.8806
441 SNO 0.8805
442 TR4 0.8804
443 PMP 0.8803
444 CSN 0.8802
445 MS9 0.8802
446 XHP 0.8801
447 KP2 0.8801
448 OA4 0.8800
449 44V 0.8800
450 2QU 0.8800
451 L15 0.8799
452 KDV 0.8795
453 CUE 0.8795
454 F5C 0.8795
455 IOP 0.8794
456 DT9 0.8794
457 5AD 0.8794
458 P80 0.8794
459 1UZ 0.8794
460 K44 0.8794
461 OTW 0.8792
462 8WO 0.8790
463 RSV 0.8790
464 0NJ 0.8790
465 E9L 0.8789
466 2HC 0.8785
467 M3W 0.8784
468 KLE 0.8782
469 55D 0.8777
470 SKF 0.8775
471 0K7 0.8775
472 7I2 0.8774
473 X2M 0.8773
474 N2I 0.8772
475 6FZ 0.8771
476 D9Z 0.8771
477 V2Z 0.8771
478 209 0.8771
479 MVN 0.8770
480 EQU 0.8769
481 P9I 0.8769
482 3PF 0.8769
483 BEA 0.8768
484 BGP 0.8768
485 5OR 0.8768
486 5LA 0.8766
487 F4K 0.8766
488 JMG 0.8765
489 5H6 0.8765
490 SWX 0.8765
491 RA7 0.8765
492 6ZE 0.8764
493 7MW 0.8763
494 D48 0.8762
495 QBP 0.8762
496 57D 0.8761
497 J5I 0.8759
498 6NT 0.8758
499 36E 0.8758
500 3GX 0.8755
501 F02 0.8755
502 0NX 0.8753
503 G6P 0.8753
504 TYR 0.8751
505 4ME 0.8751
506 W29 0.8751
507 7EH 0.8750
508 YTX 0.8749
509 CLI 0.8749
510 4YO 0.8746
511 4F8 0.8745
512 EV2 0.8743
513 6MW 0.8743
514 B62 0.8743
515 N3W 0.8743
516 0HO 0.8743
517 BQ2 0.8742
518 VT3 0.8742
519 38E 0.8742
520 N7I 0.8739
521 4LW 0.8738
522 I2E 0.8737
523 MR5 0.8737
524 AJV 0.8736
525 39O 0.8736
526 G3E 0.8736
527 TGX 0.8735
528 27K 0.8733
529 CTE 0.8733
530 4NB 0.8733
531 2HU 0.8733
532 0HN 0.8732
533 18E 0.8731
534 6P3 0.8730
535 IOS 0.8729
536 5QY 0.8727
537 TID 0.8727
538 JAH 0.8727
539 SE2 0.8726
540 4G2 0.8726
541 61M 0.8726
542 1F1 0.8725
543 J9Q 0.8724
544 PLP 0.8724
545 2J2 0.8724
546 3A9 0.8724
547 0DF 0.8722
548 CIY 0.8721
549 5NI 0.8721
550 DNF 0.8720
551 SSY 0.8720
552 IA2 0.8720
553 BMZ 0.8720
554 0F9 0.8718
555 4Z1 0.8717
556 LDC 0.8716
557 97T 0.8714
558 X0T 0.8713
559 36Y 0.8710
560 8SK 0.8710
561 RDT 0.8708
562 EST 0.8708
563 6NI 0.8707
564 Q71 0.8707
565 TRP 0.8705
566 9NB 0.8705
567 LJ3 0.8704
568 4UM 0.8704
569 EES 0.8703
570 UFO 0.8701
571 4FE 0.8701
572 U7E 0.8699
573 GI3 0.8698
574 LQ2 0.8690
575 0N7 0.8689
576 3NY 0.8687
577 2ZM 0.8686
578 397 0.8686
579 AES 0.8686
580 5B2 0.8685
581 5OO 0.8684
582 I3E 0.8681
583 7VP 0.8680
584 8M5 0.8679
585 NPS 0.8679
586 AH3 0.8677
587 BVS 0.8677
588 4NO 0.8676
589 B5D 0.8676
590 5XL 0.8676
591 FMQ 0.8670
592 H70 0.8670
593 4NR 0.8670
594 JU2 0.8670
595 ONR 0.8668
596 B4O 0.8667
597 M4E 0.8666
598 THM 0.8664
599 ABI 0.8663
600 KJU 0.8663
601 DHC 0.8663
602 OSB 0.8660
603 AZ9 0.8660
604 B23 0.8660
605 EVF 0.8658
606 FT2 0.8658
607 801 0.8656
608 120 0.8655
609 R2P 0.8655
610 RHN 0.8654
611 XI7 0.8653
612 P9E 0.8650
613 H33 0.8649
614 19E 0.8649
615 MOK 0.8647
616 EUE 0.8647
617 SQM 0.8643
618 TIA 0.8643
619 PIY 0.8642
620 LP8 0.8640
621 M78 0.8638
622 P7Y 0.8638
623 MBP 0.8638
624 36M 0.8637
625 Q9T 0.8637
626 LO1 0.8636
627 DIN 0.8634
628 DX2 0.8634
629 5P3 0.8633
630 LI7 0.8633
631 8WT 0.8632
632 JYB 0.8631
633 8TX 0.8631
634 ZIP 0.8631
635 HQD 0.8629
636 NCT 0.8628
637 6E8 0.8628
638 GJK 0.8626
639 URC 0.8626
640 KUF 0.8625
641 CG 0.8624
642 60L 0.8623
643 GW3 0.8622
644 CZ0 0.8619
645 TOF 0.8618
646 MMJ 0.8617
647 HFT 0.8616
648 PQ0 0.8616
649 774 0.8616
650 3SU 0.8615
651 ALR 0.8614
652 ADN 0.8614
653 DX1 0.8613
654 X6W 0.8613
655 A2G 0.8613
656 A7W 0.8612
657 3AE 0.8611
658 FBC 0.8610
659 6X9 0.8610
660 Y0V 0.8610
661 MRW 0.8609
662 AQN 0.8608
663 1V8 0.8607
664 5WW 0.8607
665 FTV 0.8605
666 KMP 0.8605
667 1AJ 0.8605
668 RNO 0.8603
669 FLV 0.8602
670 226 0.8602
671 9FG 0.8600
672 XAZ 0.8600
673 5GU 0.8599
674 MUA 0.8595
675 BVA 0.8590
676 K2T 0.8589
677 AXX 0.8588
678 JAW 0.8588
679 CTN 0.8587
680 1X8 0.8585
681 2HQ 0.8585
682 J9N 0.8585
683 FBB 0.8585
684 L3L 0.8584
685 JF2 0.8584
686 ET0 0.8584
687 JB8 0.8584
688 492 0.8581
689 75K 0.8580
690 P7V 0.8577
691 6BK 0.8574
692 9H2 0.8573
693 4NP 0.8570
694 AJD 0.8567
695 QBK 0.8566
696 AOY 0.8556
697 8IG 0.8553
698 MFZ 0.8552
699 Z5P 0.8551
700 ES2 0.8551
701 QMR 0.8548
702 1V0 0.8548
703 NE2 0.8547
704 2B4 0.8542
705 9BF 0.8541
706 124 0.8540
707 CLW 0.8535
708 TYL 0.8534
709 2AK 0.8532
710 CTD 0.8531
711 IXM 0.8528
712 DTR 0.8527
713 6PB 0.8518
714 LR5 0.8516
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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