Receptor
PDB id Resolution Class Description Source Keywords
1enu 1.95 Å EC: 2.4.2.29 A NEW TARGET FOR SHIGELLOSIS: RATIONAL DESIGN AND CRYSTALLOG STUDIES OF INHIBITORS OF TRNA-GUANINE TRANSGLYCOSYLASE ZYMOMONAS MOBILIS TRNA-MODIFYING ENZYME GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: A NEW TARGET FOR SHIGELLOSIS: RATIONAL DESIGN AND CRYSTALLOGRAPHIC STUDIES OF INHIBITORS OF TRNA-GUAN TRANSGLYCOSYLASE. J.MOL.BIOL. V. 306 455 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
APZ A:400;
Valid;
none;
Ki = 8.3 uM
177.16 C8 H7 N3 O2 c1cc2...
ZN A:500;
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: APZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 APZ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: APZ; Similar ligands found: 1031
No: Ligand Similarity coefficient
1 G3F 0.9827
2 0P6 0.9808
3 8S0 0.9805
4 BGC 0.9799
5 GCS 0.9792
6 CWS 0.9789
7 A7W 0.9782
8 KUF 0.9779
9 8CM 0.9776
10 DIN 0.9772
11 MRW 0.9752
12 DPZ 0.9746
13 KT7 0.9737
14 UFO 0.9719
15 GLC 0.9714
16 495 0.9655
17 BDP 0.9655
18 MT0 0.9639
19 AZ9 0.9632
20 3Z8 0.9616
21 4ME 0.9616
22 0N7 0.9615
23 0FO 0.9590
24 HQD 0.9574
25 URC 0.9573
26 3IT 0.9573
27 2D0 0.9572
28 HZQ 0.9571
29 XHP 0.9571
30 3MG 0.9567
31 QBK 0.9563
32 4MU 0.9561
33 QX4 0.9559
34 RXA 0.9557
35 DQU 0.9556
36 IV2 0.9554
37 N8Y 0.9551
38 GAL 0.9549
39 B62 0.9544
40 OTW 0.9541
41 PYQ 0.9531
42 BEA 0.9530
43 Q6T 0.9529
44 24W 0.9527
45 2FQ 0.9525
46 VK3 0.9522
47 R8V 0.9520
48 1NP 0.9518
49 12Q 0.9518
50 JPZ 0.9515
51 4YS 0.9511
52 AKH 0.9510
53 1SQ 0.9510
54 NQ 0.9510
55 MUA 0.9509
56 JUG 0.9507
57 GDE 0.9506
58 44W 0.9504
59 N5J 0.9503
60 6ME 0.9503
61 1LM 0.9501
62 CFF 0.9499
63 1LQ 0.9498
64 15L 0.9496
65 JBH 0.9494
66 LGC 0.9491
67 GJS 0.9490
68 5SG 0.9490
69 GM7 0.9489
70 5IQ 0.9489
71 Q88 0.9487
72 HQT 0.9487
73 TTL 0.9487
74 ES1 0.9486
75 8TX 0.9484
76 5QX 0.9478
77 XAZ 0.9476
78 9KT 0.9476
79 FLV 0.9476
80 5Q0 0.9472
81 HQY 0.9472
82 7NI 0.9472
83 7W1 0.9471
84 MVN 0.9468
85 ES0 0.9468
86 HLZ 0.9465
87 UNC 0.9464
88 B55 0.9463
89 I6G 0.9463
90 9MG 0.9463
91 CWM 0.9462
92 DHK 0.9460
93 DEE 0.9460
94 42C 0.9458
95 5WY 0.9458
96 BTY 0.9453
97 39O 0.9453
98 PH2 0.9453
99 SHG 0.9453
100 O72 0.9452
101 209 0.9450
102 AJV 0.9447
103 226 0.9447
104 GZ8 0.9446
105 8WT 0.9446
106 NID 0.9444
107 680 0.9443
108 PE0 0.9443
109 SXS 0.9440
110 8W9 0.9440
111 AJ2 0.9439
112 Q24 0.9438
113 2ZQ 0.9437
114 GTQ 0.9437
115 QAT 0.9435
116 GCU 0.9433
117 44V 0.9430
118 AZ8 0.9429
119 37T 0.9428
120 J9W 0.9428
121 7ZE 0.9427
122 92K 0.9423
123 D07 0.9423
124 FOT 0.9422
125 QAS 0.9422
126 B60 0.9421
127 INE 0.9421
128 G1O 0.9419
129 AQO 0.9419
130 R9Y 0.9418
131 H33 0.9417
132 CLZ 0.9416
133 FA0 0.9416
134 LI6 0.9415
135 NDM 0.9413
136 TOF 0.9410
137 7WR 0.9408
138 HNQ 0.9405
139 G6D 0.9404
140 54G 0.9403
141 75K 0.9401
142 12B 0.9401
143 5RG 0.9401
144 M5K 0.9400
145 HJP 0.9399
146 MAQ 0.9398
147 4HC 0.9397
148 3WA 0.9396
149 2H5 0.9396
150 PXL 0.9393
151 M1Q 0.9390
152 IJZ 0.9387
153 1XN 0.9386
154 JBQ 0.9385
155 QPR 0.9385
156 5JQ 0.9384
157 MEW 0.9384
158 2HQ 0.9380
159 EVA 0.9376
160 K3Q 0.9376
161 86J 0.9374
162 SWA 0.9372
163 1P7 0.9371
164 NOJ 0.9371
165 2AK 0.9368
166 5M0 0.9368
167 03V 0.9367
168 ORO 0.9367
169 HH8 0.9364
170 COU 0.9364
171 PFB 0.9363
172 5MK 0.9361
173 TEP 0.9361
174 4M0 0.9360
175 8IG 0.9358
176 DOB 0.9357
177 UAN 0.9356
178 GTR 0.9354
179 SYV 0.9353
180 LKA 0.9353
181 6CS 0.9352
182 OCH 0.9350
183 SKA 0.9350
184 8XQ 0.9349
185 4XH 0.9346
186 B57 0.9346
187 E7Z 0.9345
188 SX1 0.9341
189 4FS 0.9337
190 SYA 0.9337
191 BHA 0.9333
192 2AQ 0.9333
193 ES5 0.9332
194 M1H 0.9330
195 5CU 0.9326
196 JB5 0.9325
197 M6N 0.9325
198 0FK 0.9325
199 HKD 0.9323
200 YQA 0.9321
201 TTY 0.9320
202 G5V 0.9317
203 5JL 0.9316
204 3HA 0.9314
205 Q71 0.9314
206 J9Q 0.9314
207 FGZ 0.9312
208 39A 0.9312
209 EA1 0.9311
210 7VS 0.9310
211 VNL 0.9309
212 SOR 0.9309
213 7ME 0.9306
214 32X 0.9305
215 GCB 0.9304
216 ADZ 0.9302
217 AZA 0.9302
218 Z5P 0.9298
219 EJZ 0.9295
220 OMD 0.9294
221 3PF 0.9293
222 QSH 0.9292
223 PHT 0.9292
224 5NU 0.9291
225 PRF 0.9289
226 KKN 0.9287
227 F12 0.9287
228 GIO 0.9287
229 GUN 0.9283
230 H42 0.9283
231 20J 0.9283
232 67N 0.9282
233 9TZ 0.9282
234 4XV 0.9281
235 NTZ 0.9281
236 DBJ 0.9280
237 HHR 0.9280
238 OXC 0.9279
239 DNC 0.9279
240 7B4 0.9278
241 BPU 0.9277
242 5RN 0.9276
243 JR2 0.9276
244 M0W 0.9274
245 JND 0.9271
246 SRO 0.9270
247 4AA 0.9270
248 149 0.9269
249 C2U 0.9268
250 5QY 0.9264
251 DBH 0.9259
252 9DG 0.9259
253 3F0 0.9258
254 N2I 0.9258
255 XXR 0.9258
256 97T 0.9257
257 2LY 0.9256
258 XQ0 0.9253
259 5RO 0.9253
260 ZYR 0.9253
261 DOR 0.9253
262 ZVO 0.9252
263 DRL 0.9249
264 KIB 0.9249
265 2EC 0.9249
266 SKM 0.9249
267 ISN 0.9248
268 JBK 0.9245
269 GLA 0.9244
270 3M0 0.9242
271 2AL 0.9242
272 G2F 0.9242
273 4Z4 0.9241
274 X8D 0.9240
275 IGA 0.9240
276 DHQ 0.9240
277 ICO 0.9235
278 FE DB1 0.9234
279 XAN 0.9234
280 34D 0.9230
281 141 0.9228
282 NTM 0.9228
283 D48 0.9228
284 FDB 0.9227
285 PX7 0.9227
286 DNF 0.9225
287 LSA 0.9225
288 4XS 0.9224
289 G3E 0.9224
290 ZZ8 0.9223
291 JG8 0.9223
292 5WV 0.9221
293 M1A 0.9219
294 GIV 0.9219
295 4NC 0.9215
296 5WX 0.9215
297 FDR 0.9214
298 LDR 0.9213
299 OA3 0.9213
300 4JQ 0.9213
301 DNA 0.9212
302 C9E 0.9212
303 JTH 0.9212
304 MO8 0.9210
305 CFP 0.9210
306 M0Q 0.9210
307 1GN 0.9210
308 3TJ 0.9208
309 9AP 0.9207
310 GZL 0.9206
311 MS9 0.9205
312 2FG 0.9204
313 5B1 0.9203
314 4TU 0.9202
315 MQN 0.9202
316 EQT 0.9202
317 LT2 0.9202
318 AW5 0.9200
319 1KP 0.9200
320 I3A 0.9200
321 7HQ 0.9197
322 CTS 0.9197
323 DHB 0.9197
324 A2F 0.9196
325 AZG 0.9194
326 FBG 0.9192
327 SYR 0.9185
328 SHA 0.9185
329 SOE 0.9184
330 EXO 0.9183
331 KJY 0.9181
332 GOX 0.9181
333 8HC 0.9180
334 0F9 0.9179
335 INO 0.9176
336 6AP 0.9174
337 28N 0.9174
338 BTE 0.9173
339 ISE 0.9172
340 3ID 0.9171
341 KJU 0.9171
342 V55 0.9170
343 290 0.9169
344 92P 0.9169
345 D1X 0.9168
346 0TU 0.9164
347 8ZE 0.9164
348 C2Y 0.9163
349 MWP 0.9161
350 KJH 0.9160
351 KYA 0.9159
352 AJY 0.9158
353 MBG 0.9157
354 B5D 0.9156
355 0W8 0.9154
356 0CU 0.9153
357 NNO 0.9153
358 SE2 0.9152
359 ABV 0.9151
360 SWD 0.9151
361 ES7 0.9149
362 VXX 0.9147
363 PHH 0.9146
364 FHB 0.9146
365 PEY 0.9146
366 23J 0.9143
367 ESI 0.9141
368 7B3 0.9140
369 6BL 0.9139
370 SAL 0.9138
371 F5B 0.9137
372 CTL 0.9137
373 M2K 0.9136
374 4A3 0.9132
375 DX4 0.9131
376 S76 0.9130
377 1XM 0.9129
378 PQ0 0.9129
379 F0J 0.9127
380 PRZ 0.9127
381 4M4 0.9127
382 SVN 0.9127
383 HPA 0.9126
384 H5B 0.9124
385 YH7 0.9123
386 F6P 0.9123
387 MAN 0.9119
388 AIN 0.9118
389 YSO 0.9116
390 7W4 0.9114
391 NPY 0.9112
392 P9P 0.9111
393 NDH 0.9110
394 QUZ 0.9110
395 6VD 0.9108
396 AY4 0.9107
397 ONR 0.9107
398 ADK 0.9105
399 V1T 0.9105
400 EV0 0.9102
401 2K8 0.9101
402 3MA 0.9100
403 0W1 0.9100
404 KLW 0.9098
405 2KA 0.9098
406 MYJ 0.9098
407 Q77 0.9098
408 25W 0.9098
409 4AN 0.9097
410 KGK 0.9097
411 93K 0.9096
412 UFV 0.9096
413 5OB 0.9096
414 6MP 0.9094
415 KTW 0.9093
416 18N 0.9092
417 UEG 0.9092
418 2FY 0.9090
419 3HM 0.9089
420 7VJ 0.9088
421 J5I 0.9087
422 AX7 0.9083
423 CH9 0.9083
424 6GU 0.9082
425 30G 0.9082
426 2A7 0.9081
427 52C 0.9081
428 06B 0.9080
429 HHA 0.9080
430 X05 0.9080
431 ADA 0.9080
432 M1E 0.9079
433 KDV 0.9079
434 GRE 0.9079
435 4YO 0.9077
436 ADE 0.9077
437 4JT 0.9074
438 XX2 0.9073
439 BOA 0.9073
440 3MB 0.9072
441 4CS 0.9072
442 A29 0.9071
443 JKZ 0.9070
444 0FN 0.9070
445 LZM 0.9069
446 FUL 0.9069
447 BMA 0.9068
448 9FL 0.9067
449 23A 0.9065
450 6M1 0.9065
451 2HO 0.9064
452 G12 0.9062
453 9DA 0.9062
454 OVM 0.9061
455 CHB 0.9061
456 MT8 0.9061
457 NVU 0.9060
458 BP1 0.9059
459 10L 0.9059
460 BZ3 0.9059
461 L7T 0.9058
462 270 0.9058
463 KIA 0.9056
464 X6X 0.9056
465 EYK 0.9055
466 RM1 0.9054
467 KBG 0.9053
468 7WA 0.9052
469 P92 0.9050
470 NAG 0.9050
471 DMD 0.9048
472 173 0.9048
473 XIY 0.9048
474 TIY 0.9046
475 Q7A 0.9045
476 9HX 0.9044
477 EMZ 0.9042
478 42A 0.9042
479 NGO 0.9042
480 1QP 0.9041
481 6RQ 0.9041
482 XYP 0.9041
483 FBB 0.9039
484 3RK 0.9039
485 1X7 0.9038
486 GAF 0.9038
487 1U1 0.9036
488 TWO 0.9036
489 B53 0.9035
490 4KL 0.9035
491 AMG 0.9034
492 ASO 0.9033
493 BE2 0.9031
494 5GU 0.9031
495 3C1 0.9030
496 JBE 0.9030
497 069 0.9030
498 9R5 0.9030
499 329 0.9029
500 0XT 0.9027
501 HH5 0.9027
502 KFH 0.9027
503 82I 0.9025
504 HHS 0.9022
505 15E 0.9022
506 15N 0.9022
507 DBX 0.9021
508 PDC 0.9021
509 3C2 0.9020
510 DIU 0.9020
511 F31 0.9018
512 HLD 0.9016
513 YIO 0.9015
514 XM0 0.9015
515 1M2 0.9014
516 8GC 0.9014
517 7WV 0.9012
518 GOG 0.9012
519 7HP 0.9012
520 QSB 0.9011
521 XQG 0.9010
522 3HB 0.9010
523 AHR 0.9009
524 KBB 0.9008
525 FP1 0.9008
526 NIZ 0.9008
527 K32 0.9007
528 2BG 0.9007
529 JXN 0.9007
530 ZB1 0.9007
531 GV9 0.9006
532 6NT 0.9006
533 0GZ 0.9005
534 FA3 0.9005
535 1WD 0.9002
536 GYE 0.9002
537 HA5 0.9001
538 IPB 0.9000
539 261 0.9000
540 JKE 0.8999
541 4SV 0.8998
542 39U 0.8996
543 LDP 0.8996
544 ISZ 0.8995
545 GIM 0.8993
546 K22 0.8992
547 LXC 0.8992
548 GLT 0.8990
549 HFB 0.8990
550 3AB 0.8990
551 BHO 0.8990
552 EGR 0.8989
553 N3W 0.8989
554 GT0 0.8987
555 6M9 0.8987
556 5XC 0.8985
557 2ZV 0.8985
558 ES4 0.8985
559 6F0 0.8984
560 9TW 0.8984
561 AX3 0.8983
562 2MI 0.8979
563 1A7 0.8979
564 3NY 0.8979
565 HTP 0.8979
566 PXM 0.8978
567 9EW 0.8977
568 IBF 0.8977
569 A13 0.8976
570 X09 0.8975
571 GXL 0.8975
572 GJP 0.8974
573 K2T 0.8973
574 TGX 0.8973
575 7MX 0.8972
576 PZI 0.8971
577 3R6 0.8970
578 0JD 0.8969
579 ZZZ 0.8968
580 HQJ 0.8968
581 F05 0.8967
582 CCV 0.8964
583 5NS 0.8964
584 JAE 0.8963
585 BZX 0.8962
586 DX3 0.8962
587 HBO 0.8960
588 BCF 0.8958
589 6M4 0.8958
590 68A 0.8957
591 JYB 0.8956
592 8WO 0.8956
593 5NE 0.8955
594 BNT 0.8955
595 0HO 0.8954
596 1XA 0.8954
597 5HN 0.8953
598 BBF 0.8953
599 BCP 0.8953
600 K17 0.8953
601 3U4 0.8952
602 3NT 0.8952
603 1DW 0.8952
604 GNM 0.8952
605 INS 0.8952
606 OTD 0.8952
607 ET2 0.8951
608 BSP 0.8950
609 PM6 0.8950
610 GCO 0.8950
611 9CA 0.8949
612 IHB 0.8949
613 TSS 0.8949
614 2ZM 0.8948
615 BCU 0.8947
616 JIF 0.8947
617 1HN 0.8946
618 NMJ 0.8945
619 7I2 0.8943
620 1IT 0.8942
621 IBM 0.8942
622 AA 0.8941
623 2CK 0.8941
624 0RW 0.8941
625 CFI 0.8940
626 ES6 0.8939
627 DQN 0.8938
628 4HM 0.8938
629 QIC 0.8938
630 JU2 0.8936
631 ODO 0.8936
632 FDK 0.8935
633 GHM 0.8934
634 64C 0.8934
635 14O 0.8934
636 ROI 0.8934
637 WOO 0.8934
638 ZWZ 0.8933
639 0HN 0.8932
640 ES9 0.8932
641 5WU 0.8931
642 4RU 0.8931
643 MVL 0.8931
644 TH7 0.8931
645 GVG 0.8931
646 GAB 0.8930
647 8NX 0.8930
648 XXP 0.8930
649 DRG 0.8929
650 5CL 0.8929
651 PCI 0.8928
652 2HU 0.8928
653 53C 0.8928
654 NGT 0.8925
655 EN1 0.8924
656 4XR 0.8924
657 X0W 0.8922
658 XM5 0.8921
659 EUG 0.8918
660 VOH 0.8918
661 VGD 0.8918
662 5H1 0.8918
663 E7S 0.8918
664 1AL 0.8917
665 BPY 0.8917
666 EOL 0.8915
667 7MU 0.8914
668 ABI 0.8914
669 4V6 0.8913
670 HMH 0.8913
671 ES2 0.8911
672 OVV 0.8910
673 3Z7 0.8908
674 5MB 0.8908
675 JA8 0.8907
676 DIE 0.8906
677 MR1 0.8906
678 K6X 0.8904
679 3FH 0.8904
680 JP2 0.8903
681 1F1 0.8903
682 HLR 0.8902
683 35C 0.8902
684 K5W 0.8902
685 BK9 0.8900
686 AEZ 0.8900
687 PQK 0.8900
688 GCW 0.8899
689 CLW 0.8899
690 MHK 0.8898
691 GTL 0.8898
692 TBS 0.8897
693 11S 0.8897
694 FK1 0.8897
695 1P8 0.8893
696 F9Y 0.8892
697 T6C 0.8892
698 8WZ 0.8892
699 F1A 0.8891
700 5MI 0.8891
701 HIS 0.8891
702 5TY 0.8890
703 ALL 0.8890
704 XQK 0.8889
705 7MH 0.8888
706 5NI 0.8888
707 PA1 0.8888
708 TT4 0.8887
709 IFL 0.8885
710 JF2 0.8884
711 JXW 0.8884
712 FYU 0.8883
713 B2J 0.8883
714 8GK 0.8882
715 F60 0.8881
716 RAM 0.8881
717 4NO 0.8881
718 2J9 0.8879
719 NOY 0.8879
720 E1T 0.8878
721 P3K 0.8878
722 H4N 0.8875
723 344 0.8874
724 36R 0.8873
725 WCE 0.8873
726 X0V 0.8873
727 2D3 0.8873
728 6AI 0.8871
729 ZZ3 0.8869
730 67X 0.8866
731 FBU 0.8865
732 F3B 0.8863
733 KOJ 0.8863
734 FLC 0.8863
735 RPQ 0.8861
736 EKZ 0.8861
737 MXX 0.8860
738 9FE 0.8860
739 N7I 0.8859
740 7M6 0.8858
741 537 0.8857
742 2K4 0.8857
743 QWN 0.8856
744 61M 0.8855
745 L5V 0.8854
746 5PX 0.8854
747 GLY PRO 0.8852
748 CN0 0.8852
749 5VL 0.8852
750 3BZ 0.8850
751 3DM 0.8850
752 3A9 0.8848
753 MT5 0.8847
754 EXD 0.8847
755 293 0.8846
756 5VM 0.8845
757 BRT 0.8845
758 PJW 0.8845
759 6QF 0.8843
760 ANF 0.8843
761 SG2 0.8843
762 M5N 0.8841
763 E35 0.8840
764 APS 0.8840
765 H6B 0.8839
766 MOK 0.8836
767 BZ2 0.8833
768 8XL 0.8831
769 LYL 0.8830
770 4P5 0.8830
771 JAW 0.8829
772 9PY 0.8828
773 9ZE 0.8826
774 8MO 0.8825
775 L99 0.8825
776 NDG 0.8821
777 GXY 0.8820
778 FA6 0.8820
779 3J8 0.8819
780 6FZ 0.8819
781 K37 0.8817
782 ESP 0.8817
783 FH2 0.8815
784 6NI 0.8815
785 4SX 0.8814
786 FBT 0.8813
787 27B 0.8813
788 ASC 0.8811
789 IFP 0.8811
790 FCB 0.8811
791 GTZ 0.8810
792 LT8 0.8810
793 12T 0.8809
794 ZZT 0.8807
795 F2W 0.8804
796 5VJ 0.8803
797 NBG 0.8803
798 3GQ 0.8800
799 MFB 0.8800
800 M1Z 0.8798
801 PBA 0.8797
802 54X 0.8796
803 II6 0.8796
804 TQU 0.8793
805 BZJ 0.8792
806 LZ2 0.8791
807 LAO 0.8791
808 2SX 0.8790
809 PD2 0.8788
810 7D2 0.8787
811 DGJ 0.8786
812 6X9 0.8785
813 MZB 0.8785
814 HMU 0.8784
815 1WG 0.8784
816 W81 0.8782
817 MJ2 0.8781
818 60Q 0.8781
819 8NY 0.8780
820 F69 0.8780
821 4FH 0.8780
822 2CZ 0.8780
823 2MN 0.8779
824 HA7 0.8777
825 E3D 0.8776
826 ZME 0.8776
827 G4D 0.8775
828 7FF 0.8773
829 1U6 0.8773
830 692 0.8773
831 THA 0.8772
832 717 0.8772
833 DQA 0.8769
834 3XX 0.8769
835 RM4 0.8769
836 3OC 0.8768
837 8OZ 0.8767
838 DFB 0.8767
839 TPA 0.8765
840 JFJ 0.8764
841 PHB 0.8763
842 FHN 0.8762
843 PHU 0.8761
844 JF1 0.8760
845 JDN 0.8760
846 W8G 0.8760
847 KJ5 0.8760
848 NCD 0.8759
849 12M 0.8759
850 NPO 0.8758
851 GNL 0.8757
852 1X8 0.8756
853 FUC 0.8755
854 TBP 0.8755
855 K97 0.8755
856 RNS 0.8753
857 6XI 0.8752
858 CWJ 0.8751
859 J01 0.8751
860 H7Y 0.8750
861 2A9 0.8750
862 3DO 0.8750
863 4VS 0.8747
864 57O 0.8747
865 JFD 0.8745
866 3QV 0.8745
867 GCV 0.8743
868 FB1 0.8743
869 NLA 0.8742
870 948 0.8741
871 N0Z 0.8741
872 KYD 0.8740
873 94W 0.8739
874 FBM 0.8739
875 45L 0.8739
876 6PC 0.8739
877 OW4 0.8736
878 KIF 0.8735
879 HX3 0.8734
880 GF4 0.8734
881 FSW 0.8734
882 FUF 0.8733
883 J6W 0.8733
884 IAC 0.8732
885 49O 0.8729
886 2F6 0.8728
887 6TZ 0.8728
888 SJ5 0.8727
889 MSN 0.8727
890 2JK 0.8726
891 SLS 0.8726
892 IF7 0.8726
893 ESX 0.8725
894 6R8 0.8724
895 DMJ 0.8723
896 582 0.8723
897 PAB 0.8723
898 ARP 0.8719
899 AC0 0.8717
900 ANC 0.8716
901 B56 0.8716
902 SVD 0.8712
903 UQ 0.8711
904 CIT 0.8711
905 TNF 0.8710
906 QXW 0.8710
907 4ZC 0.8709
908 F9P 0.8709
909 IFM 0.8705
910 AC6 0.8705
911 TFU 0.8704
912 MFU 0.8704
913 ICB 0.8702
914 CKX 0.8702
915 HXX 0.8697
916 FAN 0.8696
917 AN3 0.8694
918 LCN 0.8692
919 HBD 0.8692
920 8H8 0.8690
921 2CQ 0.8689
922 JZ3 0.8689
923 FBW 0.8687
924 BEZ 0.8686
925 NBZ 0.8686
926 NIO 0.8685
927 PBZ 0.8685
928 LNR 0.8683
929 NCT 0.8682
930 I1N 0.8680
931 3AL 0.8680
932 DPT 0.8680
933 KTJ 0.8680
934 BEN 0.8679
935 CKA 0.8678
936 826 0.8678
937 5OF 0.8677
938 DEN 0.8677
939 51R 0.8674
940 1Z8 0.8674
941 XFE 0.8674
942 NCA 0.8674
943 150 0.8671
944 R8S 0.8671
945 R20 0.8670
946 FCA 0.8670
947 FBV 0.8669
948 VNJ 0.8669
949 IND 0.8669
950 6E8 0.8666
951 D3M 0.8665
952 RMN 0.8665
953 TYL 0.8663
954 P7Y 0.8662
955 M5H 0.8662
956 55D 0.8660
957 BZI 0.8659
958 IOS 0.8658
959 PIM 0.8658
960 DHR 0.8657
961 TNL 0.8656
962 GSY 0.8656
963 2HC 0.8652
964 6OT 0.8651
965 QX2 0.8650
966 091 0.8650
967 K25 0.8649
968 UNU 0.8647
969 6DP 0.8646
970 BAM 0.8645
971 SQ7 0.8641
972 PIY 0.8640
973 O2A 0.8638
974 L22 0.8637
975 CBF 0.8637
976 N2M 0.8637
977 K44 0.8636
978 BZF 0.8635
979 8VE 0.8632
980 XCZ 0.8624
981 1Y6 0.8622
982 MMA 0.8620
983 QQQ 0.8620
984 2O6 0.8619
985 PBC 0.8619
986 QMS 0.8618
987 LZ1 0.8618
988 4WL 0.8615
989 MCT 0.8611
990 IDM 0.8611
991 ZXD 0.8609
992 URF 0.8603
993 505 0.8600
994 MPI 0.8597
995 GVH 0.8596
996 PYD 0.8592
997 DHS 0.8585
998 UNJ 0.8582
999 IWT 0.8581
1000 0R1 0.8579
1001 QWW 0.8578
1002 4BL 0.8575
1003 JTA 0.8571
1004 A1Y 0.8570
1005 MIG 0.8568
1006 4ZE 0.8568
1007 0CT 0.8567
1008 X0U 0.8566
1009 878 0.8565
1010 CK2 0.8564
1011 QOS 0.8564
1012 XBZ 0.8562
1013 MWM 0.8561
1014 NK 0.8556
1015 45C 0.8556
1016 4JJ 0.8552
1017 4V2 0.8551
1018 TDR 0.8551
1019 RIB 0.8550
1020 2AC 0.8547
1021 4ZA 0.8543
1022 GYP 0.8543
1023 ENL 0.8541
1024 GAG 0.8541
1025 XYD 0.8541
1026 4CL 0.8540
1027 WBU 0.8530
1028 27Y 0.8520
1029 JZ2 0.8519
1030 275 0.8518
1031 A1U 0.8507
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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