Receptor
PDB id Resolution Class Description Source Keywords
3S1G 1.82 Å EC: 2.4.2.29 TRNA-GUANINE TRANSGLYCOSYLASE IN COMPLEX WITH LIN-BENZOHYPOX INHIBITOR ZYMOMONAS MOBILIS TIM BARREL GLYCOSYLTRANSFERASE METAL-BINDING QUEUOSINE BIOSYNTHESIS TRANSFERASE TRNA PROCESSING TRNA TRANSFERATRANSFERASE INHIBITOR COMPLEX
Ref.: FROM LIN-BENZOGUANINES TO LIN-BENZOHYPOXANTHINES AS FOR ZYMOMONAS MOBILIS TRNA-GUANINE TRANSGLYCOSYLASE REPLACEMENT OF PROTEIN-LIGAND HYDROGEN BONDING BY I WATER CLUSTERS. CHEMISTRY V. 18 9246 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:601;
A:701;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
ITE A:501;
 Valid;
 none;
 Ki = 6500 nM
215.211 C10 H9 N5 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: ITE; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ITE 1 1
2 SAQ 0.561644 0.803922
3 SQO 0.532468 0.621212
4 HRD 0.53125 0.955556
5 2WU 0.426471 0.955556
Similar Ligands (3D)
Ligand no: 1; Ligand: ITE; Similar ligands found: 643
No: Ligand Similarity coefficient
1 HRM 0.9753
2 S98 0.9747
3 S60 0.9747
4 BGU 0.9606
5 ZHA 0.9565
6 6FB 0.9547
7 K7H 0.9515
8 ZRK 0.9508
9 X0U 0.9507
10 BIK 0.9478
11 6QF 0.9467
12 ANC 0.9453
13 S0D 0.9450
14 JCZ 0.9447
15 PRL 0.9444
16 3VX 0.9424
17 0SY 0.9418
18 LUM 0.9396
19 XCG 0.9395
20 FF2 0.9393
21 AN3 0.9371
22 N91 0.9351
23 E3X 0.9330
24 H4B 0.9327
25 DRG 0.9317
26 5E5 0.9316
27 5TY 0.9315
28 TMG 0.9304
29 LR8 0.9302
30 QIV 0.9299
31 GO2 0.9290
32 5WT 0.9282
33 A5H 0.9280
34 MR4 0.9280
35 FQX 0.9279
36 4V2 0.9266
37 ZSP 0.9266
38 ERZ 0.9265
39 HBO 0.9264
40 N1E 0.9263
41 8G6 0.9257
42 KLV 0.9249
43 BP7 0.9245
44 YE7 0.9244
45 X48 0.9244
46 363 0.9237
47 344 0.9235
48 BZJ 0.9232
49 GNM 0.9228
50 YE6 0.9222
51 TCR 0.9221
52 MR6 0.9221
53 0FR 0.9220
54 3VQ 0.9219
55 6KT 0.9215
56 PIQ 0.9215
57 3J8 0.9205
58 E1K 0.9202
59 DNQ 0.9201
60 4CN 0.9201
61 4HB 0.9200
62 JF8 0.9196
63 F2W 0.9194
64 CNI 0.9187
65 2PV 0.9183
66 JAH 0.9183
67 2PK 0.9180
68 0UL 0.9179
69 B1J 0.9179
70 G14 0.9173
71 KMY 0.9171
72 E7S 0.9166
73 1DR 0.9164
74 ANF 0.9156
75 A5Q 0.9156
76 NRA 0.9154
77 26C 0.9151
78 2QC 0.9150
79 3QV 0.9150
80 B21 0.9148
81 LFN 0.9145
82 HNT 0.9142
83 ZRL 0.9141
84 3VS 0.9141
85 JP2 0.9141
86 3R4 0.9139
87 5TT 0.9137
88 BPU 0.9136
89 JRO 0.9136
90 CXH 0.9133
91 BZE 0.9131
92 15E 0.9131
93 IDZ 0.9130
94 GVY 0.9129
95 U13 0.9127
96 N0Z 0.9126
97 4I8 0.9124
98 Q0K 0.9120
99 F40 0.9119
100 KLS 0.9117
101 2QU 0.9115
102 2FX 0.9113
103 AA 0.9113
104 Y3L 0.9110
105 LL1 0.9107
106 FZM 0.9105
107 FER 0.9105
108 ZEA 0.9102
109 2J1 0.9102
110 5V7 0.9100
111 4FF 0.9098
112 EN1 0.9097
113 JG8 0.9097
114 RGK 0.9095
115 4ZF 0.9093
116 1FE 0.9092
117 0DF 0.9090
118 LOT 0.9089
119 1XS 0.9089
120 VC3 0.9087
121 DXK 0.9083
122 2GQ 0.9082
123 THA 0.9079
124 NKI 0.9078
125 BPY 0.9075
126 6P3 0.9072
127 MR5 0.9072
128 2P3 0.9070
129 CK2 0.9068
130 1FL 0.9068
131 OQC 0.9067
132 2JX 0.9066
133 JWS 0.9065
134 MD6 0.9063
135 DT7 0.9063
136 CX6 0.9061
137 RSV 0.9061
138 4AU 0.9061
139 ODK 0.9059
140 78Y 0.9058
141 RKV 0.9056
142 GOE 0.9055
143 GJP 0.9054
144 JBZ 0.9053
145 L22 0.9051
146 F18 0.9048
147 9KZ 0.9048
148 1HN 0.9046
149 ALE 0.9042
150 ZYQ 0.9040
151 9R5 0.9040
152 OLU 0.9039
153 WUB 0.9038
154 GNV 0.9038
155 9UL 0.9038
156 657 0.9036
157 5NN 0.9035
158 Z21 0.9034
159 5SJ 0.9033
160 FCD 0.9032
161 V1T 0.9031
162 SWX 0.9030
163 AMR 0.9026
164 5VU 0.9025
165 4AB 0.9023
166 F02 0.9023
167 X0T 0.9022
168 6SD 0.9021
169 D9Z 0.9021
170 1Z6 0.9020
171 ZZA 0.9018
172 QR2 0.9017
173 VUP 0.9017
174 WLH 0.9014
175 WV7 0.9013
176 2K8 0.9013
177 C53 0.9012
178 68A 0.9010
179 28A 0.9009
180 6TJ 0.9008
181 ENO 0.9008
182 FHV 0.9007
183 AH9 0.9006
184 HBI 0.9005
185 H2B 0.9005
186 ZME 0.9005
187 4RU 0.9004
188 J38 0.9003
189 1V1 0.9003
190 BIO 0.9001
191 A7H 0.9001
192 BX4 0.9001
193 W8L 0.8999
194 7FU 0.8999
195 0OK 0.8997
196 ESI 0.8997
197 7L4 0.8996
198 62D 0.8996
199 CIY 0.8995
200 CDJ 0.8995
201 MXD 0.8992
202 2D2 0.8990
203 H75 0.8990
204 0FK 0.8985
205 7AP 0.8984
206 8UY 0.8984
207 CH9 0.8982
208 FHC 0.8982
209 UNJ 0.8982
210 MSR 0.8982
211 9JT 0.8981
212 55D 0.8980
213 KTJ 0.8979
214 XDK 0.8977
215 KTW 0.8976
216 II4 0.8975
217 6ZW 0.8969
218 1VK 0.8969
219 DHC 0.8967
220 KLE 0.8967
221 N7I 0.8966
222 AGI 0.8964
223 A73 0.8963
224 M3E 0.8963
225 NEU 0.8959
226 WS7 0.8959
227 GEN 0.8959
228 RA7 0.8959
229 18E 0.8958
230 5LA 0.8958
231 HA5 0.8958
232 AES 0.8956
233 FYR 0.8956
234 JTA 0.8956
235 20D 0.8955
236 YZ9 0.8954
237 3N0 0.8954
238 DFL 0.8952
239 4BY 0.8952
240 5GV 0.8951
241 47V 0.8948
242 CPZ 0.8947
243 X2M 0.8946
244 H2W 0.8946
245 DPT 0.8946
246 E1T 0.8945
247 4BL 0.8945
248 F4E 0.8945
249 A9B 0.8944
250 FC2 0.8944
251 3D3 0.8943
252 TRP 0.8943
253 R9Y 0.8941
254 30G 0.8938
255 0NJ 0.8938
256 9CE 0.8937
257 39Z 0.8937
258 OA4 0.8936
259 PUE 0.8936
260 GZ2 0.8935
261 5XL 0.8935
262 HX4 0.8935
263 SNU 0.8935
264 GO8 0.8934
265 VXX 0.8933
266 9CA 0.8932
267 FBC 0.8931
268 WG8 0.8931
269 RHN 0.8931
270 0NX 0.8930
271 AJ1 0.8930
272 27M 0.8929
273 NDD 0.8927
274 UAY 0.8927
275 5OR 0.8924
276 X0W 0.8924
277 3D8 0.8923
278 0JD 0.8923
279 IWT 0.8923
280 A5E 0.8921
281 27K 0.8921
282 6H2 0.8921
283 F5C 0.8920
284 S0E 0.8919
285 X11 0.8919
286 7ZL 0.8918
287 HHS 0.8918
288 8XL 0.8918
289 9ZE 0.8918
290 N2M 0.8916
291 5B2 0.8916
292 1A7 0.8915
293 TXQ 0.8913
294 TZF 0.8913
295 2FQ 0.8912
296 CZ0 0.8912
297 PH2 0.8911
298 NYJ 0.8911
299 GVI 0.8910
300 833 0.8910
301 SLS 0.8909
302 1V3 0.8906
303 SNO 0.8905
304 1IT 0.8905
305 3ZB 0.8904
306 LZ5 0.8902
307 2JK 0.8902
308 8NB 0.8901
309 9FL 0.8901
310 8HC 0.8901
311 N8Y 0.8899
312 9NB 0.8899
313 3WL 0.8898
314 6RQ 0.8898
315 P9E 0.8897
316 AJG 0.8897
317 RDT 0.8896
318 A6W 0.8894
319 92P 0.8893
320 245 0.8893
321 CHQ 0.8892
322 JMG 0.8887
323 12T 0.8887
324 15N 0.8885
325 8ZE 0.8884
326 120 0.8881
327 8D6 0.8879
328 36Y 0.8879
329 IOP 0.8878
330 A63 0.8878
331 SJK 0.8876
332 7MW 0.8875
333 ZYR 0.8873
334 BA5 0.8873
335 C82 0.8873
336 7O4 0.8872
337 3Y7 0.8872
338 AY4 0.8872
339 QBP 0.8872
340 5F8 0.8872
341 27B 0.8871
342 EXD 0.8869
343 5H6 0.8866
344 57D 0.8865
345 P4L 0.8865
346 SKF 0.8865
347 DX2 0.8864
348 397 0.8860
349 C4E 0.8860
350 8NX 0.8857
351 54X 0.8855
352 KDV 0.8851
353 FDR 0.8851
354 M3F 0.8850
355 08C 0.8850
356 94W 0.8849
357 EV2 0.8849
358 M5H 0.8848
359 FMQ 0.8848
360 25F 0.8848
361 BQ2 0.8847
362 6TZ 0.8845
363 3GX 0.8843
364 1KP 0.8842
365 AJY 0.8839
366 PK3 0.8839
367 52F 0.8838
368 IQZ 0.8838
369 ICB 0.8838
370 PQM 0.8835
371 0XT 0.8834
372 M3W 0.8834
373 4FE 0.8834
374 DX7 0.8834
375 BBY 0.8834
376 L03 0.8834
377 BHS 0.8832
378 L2K 0.8831
379 H35 0.8828
380 R20 0.8827
381 801 0.8825
382 EQU 0.8824
383 CR4 0.8824
384 GF4 0.8824
385 ESX 0.8823
386 PMP 0.8823
387 BMZ 0.8822
388 4GU 0.8822
389 8W9 0.8820
390 5GT 0.8820
391 BVA 0.8819
392 1ZC 0.8819
393 WS6 0.8819
394 7EH 0.8819
395 BZ2 0.8818
396 9OF 0.8817
397 J6W 0.8817
398 EES 0.8815
399 SZ5 0.8814
400 ESP 0.8814
401 2O6 0.8813
402 YTX 0.8813
403 E9L 0.8812
404 537 0.8812
405 SQ7 0.8812
406 C9M 0.8810
407 PEY 0.8809
408 PPY 0.8808
409 0BP 0.8808
410 1HP 0.8808
411 EWG 0.8807
412 8MO 0.8807
413 2MQ 0.8807
414 EMO 0.8807
415 795 0.8806
416 DT9 0.8806
417 M4N 0.8806
418 TID 0.8804
419 49P 0.8803
420 2QV 0.8801
421 DK1 0.8798
422 8CC 0.8798
423 5FL 0.8797
424 LO1 0.8796
425 EUE 0.8795
426 GJK 0.8794
427 JA5 0.8793
428 4TU 0.8793
429 549 0.8792
430 272 0.8792
431 PJW 0.8790
432 NDG 0.8790
433 OCZ 0.8788
434 3F4 0.8788
435 0W1 0.8787
436 VM1 0.8786
437 122 0.8783
438 6T5 0.8783
439 LR2 0.8782
440 1QV 0.8781
441 IOS 0.8780
442 F4K 0.8779
443 4FC 0.8779
444 4LW 0.8774
445 Q9T 0.8772
446 5TZ 0.8772
447 9FE 0.8770
448 1EL 0.8768
449 L15 0.8767
450 GNY 0.8767
451 WA1 0.8766
452 I2E 0.8764
453 5ER 0.8763
454 M4E 0.8761
455 1EB 0.8760
456 D8Q 0.8759
457 6DQ 0.8759
458 NEO 0.8757
459 9TF 0.8757
460 NAG 0.8754
461 PLP 0.8753
462 AVX 0.8752
463 IBP 0.8752
464 XI7 0.8750
465 CSN 0.8750
466 GNG 0.8750
467 0XR 0.8748
468 4NB 0.8747
469 BNL 0.8745
470 RNO 0.8745
471 DDU 0.8744
472 4XF 0.8743
473 J1K 0.8742
474 HQJ 0.8742
475 N2I 0.8742
476 8M5 0.8742
477 G2V 0.8741
478 124 0.8740
479 A51 0.8739
480 SDN 0.8739
481 7VP 0.8738
482 VT3 0.8737
483 27F 0.8737
484 4BX 0.8736
485 6FZ 0.8735
486 G12 0.8734
487 72D 0.8733
488 JF1 0.8733
489 P7V 0.8732
490 LJ3 0.8730
491 H5B 0.8729
492 1UZ 0.8728
493 E6Q 0.8728
494 4NP 0.8727
495 MPV 0.8723
496 5AD 0.8721
497 IA2 0.8721
498 L5V 0.8721
499 4F8 0.8720
500 6MW 0.8718
501 HH6 0.8717
502 TIY 0.8716
503 92G 0.8715
504 JGB 0.8715
505 4MB 0.8714
506 1Q1 0.8714
507 80G 0.8713
508 K25 0.8712
509 NE2 0.8711
510 LEL 0.8709
511 1F1 0.8705
512 CUE 0.8705
513 KU1 0.8704
514 0F9 0.8702
515 6BK 0.8702
516 78P 0.8701
517 ZEC 0.8700
518 H70 0.8700
519 P4T 0.8700
520 7FZ 0.8697
521 4G2 0.8697
522 LQ2 0.8695
523 5TU 0.8693
524 CKA 0.8691
525 OA1 0.8690
526 WSD 0.8690
527 V2Z 0.8688
528 CTE 0.8685
529 B0K 0.8683
530 IIH 0.8683
531 DNA 0.8681
532 8HH 0.8680
533 6NI 0.8680
534 8V8 0.8680
535 5NI 0.8680
536 BGP 0.8679
537 EST 0.8678
538 4YO 0.8678
539 M83 0.8678
540 5F5 0.8677
541 TT4 0.8676
542 2HC 0.8676
543 NU3 0.8676
544 8MP 0.8675
545 9BF 0.8675
546 5WW 0.8674
547 2UD 0.8674
548 JY4 0.8670
549 3A9 0.8668
550 CG 0.8668
551 B56 0.8667
552 774 0.8666
553 0TU 0.8665
554 38E 0.8665
555 7G2 0.8664
556 2HU 0.8663
557 36E 0.8662
558 JB8 0.8661
559 CDY 0.8660
560 8SK 0.8660
561 ALR 0.8660
562 DNF 0.8660
563 GNJ 0.8659
564 209 0.8658
565 92O 0.8658
566 LI7 0.8657
567 NK5 0.8656
568 6NT 0.8656
569 SG2 0.8655
570 JDN 0.8654
571 1BW 0.8654
572 D48 0.8653
573 KYN 0.8653
574 ANN 0.8652
575 1V4 0.8651
576 FSU 0.8651
577 697 0.8649
578 121 0.8648
579 AQN 0.8648
580 AH6 0.8648
581 M1Z 0.8647
582 IAC 0.8642
583 K97 0.8642
584 4JQ 0.8642
585 0HO 0.8638
586 0HN 0.8637
587 KP2 0.8636
588 3PF 0.8636
589 QME 0.8636
590 CC5 0.8633
591 6ZE 0.8633
592 ABI 0.8632
593 UFO 0.8632
594 EVF 0.8631
595 4KL 0.8631
596 22L 0.8629
597 DAH 0.8629
598 CLZ 0.8628
599 5P3 0.8627
600 MQN 0.8626
601 2ZM 0.8625
602 39O 0.8624
603 K44 0.8623
604 CR1 0.8623
605 B23 0.8620
606 KMP 0.8614
607 7KE 0.8612
608 3AE 0.8610
609 P80 0.8608
610 AH3 0.8604
611 AOY 0.8604
612 22T 0.8603
613 GB5 0.8602
614 7I2 0.8601
615 L3L 0.8598
616 ONR 0.8597
617 K37 0.8595
618 ET0 0.8592
619 S7D 0.8589
620 PJK 0.8581
621 4UM 0.8580
622 ZIP 0.8580
623 LDR 0.8578
624 H33 0.8578
625 4NS 0.8570
626 5RO 0.8565
627 3L1 0.8560
628 4NR 0.8560
629 EZL 0.8559
630 3NY 0.8558
631 J5I 0.8557
632 SYV 0.8556
633 A29 0.8555
634 KYA 0.8555
635 G3E 0.8545
636 6VW 0.8540
637 72E 0.8540
638 P81 0.8540
639 SE2 0.8533
640 9AP 0.8531
641 BEA 0.8530
642 LR5 0.8521
643 2B4 0.8521
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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