Receptor
PDB id Resolution Class Description Source Keywords
2z7k 1.28 Å EC: 2.4.2.29 TRNA-GUANINE TRANSGLYCOSYLASE (TGT) IN COMPLEX WITH 2-AMINO- BENZOGUANINE ZYMOMONAS MOBILIS TIM BARREL GLYCOSYLTRANSFERASE METAL-BINDING QUEUOSINE BIOSYNTHESIS TRANSFERASE 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
BGU A:400;
 Valid;
 none;
 Ki = 77 nM
216.199 C9 H8 N6 O c1c2c...
GOL A:601;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
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: BGU; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 BGU 1 1
2 S60 0.649123 0.955556
3 2WU 0.516129 0.955556
4 S98 0.480519 0.843137
5 6OK 0.474359 0.741379
6 344 0.421875 1
7 HRD 0.41791 0.913043
Similar Ligands (3D)
Ligand no: 1; Ligand: BGU; Similar ligands found: 812
No: Ligand Similarity coefficient
1 K7H 0.9713
2 ITE 0.9606
3 H4B 0.9599
4 6QF 0.9596
5 6FB 0.9589
6 ZSP 0.9575
7 ANC 0.9575
8 PRL 0.9476
9 HRM 0.9428
10 3QV 0.9427
11 HBO 0.9420
12 LUM 0.9420
13 BHS 0.9415
14 QIV 0.9409
15 BPY 0.9406
16 HHS 0.9405
17 2K8 0.9401
18 WS7 0.9395
19 KW8 0.9395
20 8NX 0.9393
21 X0U 0.9390
22 JP2 0.9387
23 N91 0.9386
24 Y3L 0.9380
25 JCZ 0.9373
26 AN3 0.9371
27 DRG 0.9363
28 NRA 0.9362
29 5WT 0.9345
30 N0Z 0.9342
31 F40 0.9341
32 AH9 0.9340
33 BZE 0.9334
34 RGK 0.9324
35 BIO 0.9322
36 JG8 0.9318
37 3Y7 0.9317
38 BPU 0.9317
39 1DR 0.9316
40 3VX 0.9316
41 3J8 0.9316
42 7AP 0.9316
43 A5H 0.9312
44 CX6 0.9311
45 PH2 0.9310
46 F2W 0.9310
47 0FR 0.9310
48 FF2 0.9309
49 NKI 0.9305
50 5TY 0.9300
51 BZJ 0.9292
52 HBI 0.9289
53 H2B 0.9289
54 FQX 0.9280
55 4AB 0.9279
56 LL1 0.9278
57 GNV 0.9271
58 0SY 0.9270
59 NEU 0.9265
60 GZ2 0.9264
61 XCG 0.9263
62 4BL 0.9261
63 MUK 0.9260
64 JTA 0.9260
65 9CE 0.9258
66 3ZB 0.9257
67 WS6 0.9255
68 9R5 0.9255
69 363 0.9253
70 ZRK 0.9252
71 X0W 0.9249
72 X48 0.9249
73 Q0K 0.9249
74 KF5 0.9248
75 ZHA 0.9243
76 GNM 0.9242
77 68A 0.9241
78 78Y 0.9235
79 GF4 0.9231
80 NAG 0.9230
81 WLH 0.9228
82 TMG 0.9227
83 AJG 0.9226
84 4BY 0.9220
85 3R4 0.9220
86 2PK 0.9219
87 RKV 0.9218
88 4FF 0.9217
89 JBZ 0.9215
90 7L4 0.9211
91 1V1 0.9207
92 AA 0.9203
93 2GQ 0.9202
94 ANF 0.9200
95 5GV 0.9200
96 JF8 0.9200
97 CNI 0.9199
98 ZYQ 0.9195
99 2J1 0.9195
100 M3E 0.9188
101 2P3 0.9186
102 DNQ 0.9182
103 62D 0.9181
104 8G6 0.9180
105 GO2 0.9179
106 A73 0.9179
107 54X 0.9178
108 2PV 0.9177
109 8NB 0.9173
110 CH9 0.9172
111 9UL 0.9171
112 HHR 0.9167
113 JAH 0.9167
114 DPT 0.9166
115 ZME 0.9166
116 DXK 0.9163
117 0UL 0.9162
118 DFL 0.9160
119 9TF 0.9157
120 AH6 0.9156
121 537 0.9155
122 MUR 0.9154
123 X11 0.9154
124 20D 0.9154
125 2D2 0.9153
126 YE7 0.9152
127 E3X 0.9151
128 BQ2 0.9150
129 GVY 0.9146
130 AY4 0.9146
131 THA 0.9145
132 MXD 0.9143
133 30G 0.9142
134 LFN 0.9141
135 K75 0.9138
136 BIK 0.9137
137 KTJ 0.9135
138 5F8 0.9131
139 B1J 0.9130
140 P4L 0.9129
141 ZYR 0.9128
142 HNT 0.9126
143 SZ5 0.9125
144 JRO 0.9125
145 BP7 0.9120
146 4HB 0.9118
147 MPU 0.9117
148 EXD 0.9113
149 V1T 0.9112
150 5GT 0.9112
151 II4 0.9112
152 IQ5 0.9112
153 WUB 0.9110
154 4I8 0.9109
155 YE6 0.9108
156 IDZ 0.9108
157 3D8 0.9107
158 CK2 0.9106
159 KTW 0.9106
160 8HC 0.9105
161 EN1 0.9103
162 E1K 0.9103
163 4XF 0.9102
164 428 0.9102
165 0FK 0.9102
166 B21 0.9100
167 1Z6 0.9100
168 4AU 0.9099
169 N8Y 0.9096
170 UNJ 0.9094
171 GJP 0.9093
172 ESI 0.9093
173 FCD 0.9090
174 3F4 0.9089
175 E7S 0.9088
176 GNY 0.9087
177 6ZW 0.9086
178 5E5 0.9084
179 1FE 0.9080
180 FDR 0.9079
181 FZM 0.9078
182 DDU 0.9078
183 28A 0.9077
184 FYR 0.9076
185 ZEA 0.9074
186 LDC 0.9074
187 1V3 0.9073
188 6KT 0.9073
189 1HN 0.9072
190 8MO 0.9072
191 KLV 0.9072
192 W29 0.9072
193 XDK 0.9072
194 J6W 0.9071
195 TCR 0.9070
196 25F 0.9067
197 TIY 0.9066
198 4V2 0.9065
199 8W9 0.9062
200 5V7 0.9062
201 WV7 0.9060
202 QBS 0.9058
203 9JT 0.9058
204 J1K 0.9058
205 OCZ 0.9058
206 2JK 0.9057
207 549 0.9057
208 SQ4 0.9056
209 6SD 0.9056
210 AH3 0.9053
211 4GU 0.9053
212 L22 0.9053
213 N2M 0.9050
214 XM5 0.9050
215 3VS 0.9049
216 2J2 0.9047
217 BA5 0.9045
218 92G 0.9044
219 1ZC 0.9044
220 5TZ 0.9042
221 12T 0.9042
222 2JX 0.9040
223 DX7 0.9038
224 SQ7 0.9037
225 1VK 0.9036
226 S0D 0.9036
227 A5Q 0.9036
228 0LO 0.9036
229 1FL 0.9035
230 IQZ 0.9035
231 M5H 0.9033
232 NDG 0.9031
233 MR6 0.9030
234 7ZL 0.9028
235 EWG 0.9028
236 AVX 0.9026
237 A63 0.9025
238 5FL 0.9023
239 M1Z 0.9020
240 ALE 0.9019
241 6DQ 0.9013
242 C82 0.9013
243 2FQ 0.9011
244 4RU 0.9010
245 GDL 0.9009
246 JGB 0.9009
247 0JD 0.9008
248 4ZF 0.9006
249 E1T 0.9006
250 SLS 0.9006
251 9CA 0.9004
252 15E 0.9003
253 27B 0.9001
254 J38 0.9001
255 0OK 0.9001
256 PIQ 0.9000
257 FHC 0.8999
258 9FL 0.8997
259 1V4 0.8996
260 SWX 0.8995
261 47V 0.8994
262 C53 0.8993
263 MD6 0.8993
264 CHQ 0.8992
265 1IT 0.8992
266 VC3 0.8989
267 92O 0.8988
268 JY4 0.8987
269 YZ9 0.8986
270 ERZ 0.8986
271 APS 0.8985
272 833 0.8983
273 0W1 0.8983
274 TWO 0.8982
275 WSD 0.8982
276 G14 0.8981
277 EE8 0.8980
278 MSR 0.8980
279 V2Z 0.8979
280 L03 0.8979
281 B4O 0.8978
282 49P 0.8978
283 B56 0.8976
284 R9Y 0.8975
285 F4K 0.8975
286 KMY 0.8973
287 VXX 0.8970
288 5VL 0.8969
289 DNA 0.8963
290 VM1 0.8963
291 795 0.8963
292 OQC 0.8963
293 TXW 0.8961
294 UAY 0.8961
295 15N 0.8961
296 27M 0.8959
297 7FU 0.8958
298 AJY 0.8956
299 HA5 0.8956
300 HH6 0.8956
301 3VQ 0.8953
302 ZZA 0.8953
303 R20 0.8951
304 A6W 0.8951
305 39Z 0.8951
306 SJK 0.8951
307 M3F 0.8950
308 26C 0.8950
309 MMJ 0.8949
310 EMO 0.8949
311 BBY 0.8948
312 PPY 0.8947
313 TR4 0.8946
314 ZRL 0.8946
315 M83 0.8946
316 1A7 0.8945
317 NDD 0.8944
318 D3G 0.8944
319 LR2 0.8943
320 FER 0.8943
321 2FX 0.8942
322 0XT 0.8939
323 TJM 0.8939
324 4R1 0.8937
325 DK1 0.8936
326 RVE 0.8935
327 6TZ 0.8935
328 B23 0.8932
329 8ZE 0.8932
330 HQJ 0.8931
331 GNJ 0.8931
332 FHV 0.8930
333 8HH 0.8925
334 0NX 0.8922
335 PUE 0.8922
336 SG2 0.8922
337 9ZE 0.8921
338 08C 0.8919
339 W8L 0.8918
340 5VU 0.8917
341 1KP 0.8917
342 7ME 0.8916
343 TT4 0.8914
344 9AP 0.8914
345 6TJ 0.8913
346 DT7 0.8912
347 LOT 0.8912
348 ESX 0.8911
349 ROI 0.8910
350 CXH 0.8910
351 TXQ 0.8907
352 44V 0.8905
353 LDR 0.8905
354 CLZ 0.8904
355 GI3 0.8903
356 ENO 0.8902
357 H5B 0.8902
358 KYA 0.8902
359 CDJ 0.8900
360 F02 0.8899
361 1QV 0.8898
362 MQN 0.8898
363 QX4 0.8897
364 MR4 0.8897
365 2QC 0.8896
366 F4E 0.8895
367 GO8 0.8894
368 XFE 0.8893
369 4JQ 0.8893
370 9OF 0.8892
371 M78 0.8892
372 THM 0.8891
373 ET0 0.8891
374 H2W 0.8890
375 GHM 0.8889
376 44W 0.8888
377 N2I 0.8888
378 1SF 0.8887
379 F5C 0.8887
380 LR8 0.8887
381 A7H 0.8886
382 L15 0.8885
383 EV3 0.8885
384 PEY 0.8884
385 ESP 0.8884
386 PJW 0.8884
387 IL5 0.8883
388 0J5 0.8883
389 6ME 0.8883
390 1EB 0.8882
391 JF1 0.8881
392 92P 0.8881
393 6X9 0.8880
394 OLU 0.8880
395 PK3 0.8879
396 9KZ 0.8879
397 4MU 0.8878
398 5NN 0.8877
399 BZ2 0.8877
400 RSV 0.8876
401 CSN 0.8875
402 ZEC 0.8870
403 S7S 0.8868
404 KP2 0.8868
405 0K7 0.8867
406 AJ1 0.8866
407 5SJ 0.8866
408 K44 0.8864
409 CTE 0.8863
410 N3W 0.8863
411 F18 0.8861
412 BGP 0.8860
413 DCZ 0.8860
414 8D6 0.8857
415 27F 0.8857
416 ICB 0.8856
417 G12 0.8855
418 6RQ 0.8854
419 GZV 0.8854
420 D9Z 0.8854
421 878 0.8854
422 2MQ 0.8852
423 K25 0.8851
424 LEL 0.8850
425 S0E 0.8850
426 C4E 0.8847
427 2O6 0.8847
428 9FE 0.8847
429 91F 0.8847
430 GVG 0.8845
431 BG6 0.8844
432 AP6 0.8844
433 G6P 0.8844
434 DQU 0.8843
435 8XL 0.8843
436 X6W 0.8843
437 P4T 0.8843
438 HX4 0.8842
439 0BP 0.8841
440 5F5 0.8841
441 4NR 0.8841
442 GB4 0.8840
443 I3E 0.8839
444 4Z1 0.8838
445 NIF 0.8838
446 RA7 0.8837
447 657 0.8833
448 A29 0.8833
449 272 0.8832
450 AMR 0.8832
451 KYN 0.8832
452 DTR 0.8832
453 A5E 0.8831
454 5B2 0.8831
455 0FO 0.8829
456 DX3 0.8828
457 JWS 0.8828
458 6FZ 0.8828
459 P80 0.8827
460 U13 0.8826
461 6P3 0.8825
462 22L 0.8825
463 JF2 0.8824
464 CPZ 0.8822
465 IWT 0.8822
466 SNU 0.8822
467 BNL 0.8821
468 OSB 0.8820
469 GOE 0.8819
470 PMP 0.8818
471 RCV 0.8818
472 CTD 0.8818
473 IOP 0.8818
474 GEN 0.8817
475 LJ3 0.8816
476 MPV 0.8815
477 LO1 0.8813
478 DUR 0.8810
479 3D1 0.8809
480 EAE 0.8808
481 1BW 0.8808
482 5AD 0.8808
483 L5V 0.8808
484 4CN 0.8806
485 7EH 0.8805
486 L3L 0.8805
487 ZYV 0.8804
488 QR2 0.8803
489 3GX 0.8803
490 KLS 0.8802
491 TZF 0.8802
492 N7I 0.8801
493 6MW 0.8801
494 Q71 0.8799
495 ODK 0.8799
496 7O4 0.8799
497 OA4 0.8797
498 GVI 0.8797
499 1AJ 0.8797
500 CG 0.8796
501 M4E 0.8794
502 KDV 0.8793
503 A9B 0.8793
504 TGX 0.8792
505 NPS 0.8791
506 XHP 0.8791
507 B2E 0.8790
508 X2M 0.8790
509 CUE 0.8789
510 P9I 0.8789
511 4G2 0.8789
512 EQU 0.8788
513 7I2 0.8788
514 XYS XYP 0.8787
515 4FE 0.8786
516 2HC 0.8785
517 ARP 0.8784
518 4TU 0.8783
519 5RO 0.8783
520 SKF 0.8783
521 VUP 0.8782
522 JR2 0.8782
523 M3W 0.8781
524 MFR 0.8780
525 CKA 0.8777
526 209 0.8775
527 TRP 0.8774
528 ALR 0.8773
529 Z21 0.8773
530 4KL 0.8773
531 61M 0.8771
532 CTN 0.8770
533 H70 0.8770
534 RDT 0.8770
535 6Q3 0.8769
536 9BF 0.8769
537 VT3 0.8768
538 5LA 0.8767
539 0TU 0.8766
540 TYR 0.8765
541 4ME 0.8761
542 8WO 0.8760
543 QBP 0.8758
544 SNO 0.8757
545 YTX 0.8757
546 MJW 0.8757
547 1XS 0.8757
548 EST 0.8757
549 94W 0.8756
550 EUE 0.8755
551 HNM 0.8755
552 D2G 0.8754
553 IA2 0.8754
554 3C5 0.8753
555 EZL 0.8751
556 KLE 0.8750
557 4F8 0.8750
558 38E 0.8750
559 5OR 0.8749
560 PLP 0.8749
561 LI7 0.8749
562 N4E 0.8749
563 55D 0.8748
564 Q9T 0.8747
565 SSY 0.8747
566 1UZ 0.8744
567 JMG 0.8743
568 6ZE 0.8742
569 2QU 0.8741
570 4I5 0.8740
571 JND 0.8740
572 I2E 0.8739
573 57D 0.8739
574 EV2 0.8738
575 78P 0.8738
576 IAC 0.8737
577 0HN 0.8737
578 4LW 0.8737
579 AJD 0.8736
580 AJV 0.8736
581 36M 0.8735
582 OA1 0.8733
583 MVN 0.8732
584 27K 0.8732
585 0F9 0.8731
586 IOS 0.8730
587 3XR 0.8730
588 GJK 0.8729
589 39O 0.8729
590 1F1 0.8728
591 X0T 0.8727
592 SQM 0.8727
593 A1Y 0.8727
594 2B4 0.8727
595 QMR 0.8727
596 3PF 0.8726
597 7MW 0.8725
598 B62 0.8724
599 OTW 0.8724
600 MOK 0.8723
601 0HO 0.8723
602 HJ7 0.8723
603 LQ2 0.8723
604 MS0 0.8722
605 D48 0.8722
606 B5D 0.8722
607 BEA 0.8721
608 6NT 0.8720
609 P9E 0.8719
610 MR5 0.8717
611 36E 0.8717
612 AOY 0.8716
613 4YO 0.8716
614 J5I 0.8716
615 ZIP 0.8715
616 A5P 0.8715
617 5QY 0.8714
618 0DF 0.8714
619 5XL 0.8714
620 5P3 0.8714
621 E9L 0.8713
622 J9Q 0.8712
623 RH1 0.8711
624 CWJ 0.8710
625 20J 0.8710
626 TID 0.8709
627 9NB 0.8708
628 PQM 0.8707
629 UFO 0.8707
630 JB8 0.8706
631 697 0.8706
632 MS9 0.8705
633 60L 0.8704
634 EES 0.8704
635 492 0.8703
636 8V8 0.8703
637 CIY 0.8702
638 DNF 0.8702
639 4UM 0.8701
640 NYJ 0.8701
641 IS2 0.8700
642 DBS 0.8698
643 2LW 0.8698
644 GXD 0.8697
645 8M5 0.8697
646 18E 0.8697
647 6NI 0.8696
648 5TT 0.8696
649 TIA 0.8694
650 R2P 0.8694
651 H4B NO 0.8693
652 4NO 0.8691
653 LP8 0.8691
654 G3E 0.8691
655 97T 0.8690
656 6E8 0.8690
657 NGA 0.8689
658 3A9 0.8689
659 MBP 0.8688
660 XI7 0.8686
661 7MX 0.8686
662 M6P 0.8684
663 7G2 0.8683
664 7VP 0.8681
665 0N7 0.8680
666 8SK 0.8680
667 CR4 0.8678
668 LR5 0.8677
669 ONR 0.8677
670 3AK 0.8677
671 AX3 0.8676
672 FMQ 0.8675
673 RHN 0.8675
674 DHC 0.8674
675 XYP XYP 0.8674
676 BHQ 0.8673
677 EVF 0.8670
678 36Y 0.8670
679 397 0.8670
680 BVA 0.8667
681 5OO 0.8667
682 4NB 0.8667
683 3SU 0.8665
684 CLI 0.8665
685 19E 0.8665
686 SE2 0.8664
687 AES 0.8664
688 2ZM 0.8660
689 K68 0.8659
690 JU2 0.8658
691 6H2 0.8657
692 KJU 0.8655
693 IDD 0.8655
694 FTV 0.8655
695 2HU 0.8654
696 G1P 0.8652
697 DT9 0.8652
698 AZ9 0.8651
699 H33 0.8651
700 ADN 0.8651
701 3JC 0.8651
702 4NS 0.8651
703 SQP 0.8649
704 RNO 0.8649
705 DX2 0.8649
706 5H6 0.8648
707 MFZ 0.8648
708 6PB 0.8648
709 6HO 0.8647
710 2QV 0.8646
711 PQK 0.8646
712 3NY 0.8644
713 NE2 0.8644
714 J3Z 0.8643
715 5NI 0.8643
716 IPD 0.8642
717 JYB 0.8642
718 3AE 0.8641
719 BMZ 0.8641
720 Q5M 0.8640
721 5ER 0.8640
722 BVS 0.8639
723 2KA 0.8638
724 FBC 0.8635
725 HFT 0.8633
726 DX1 0.8632
727 AC2 0.8631
728 JDN 0.8630
729 Y0V 0.8628
730 HQD 0.8627
731 2D3 0.8625
732 HC4 0.8624
733 774 0.8623
734 DIN 0.8623
735 9H2 0.8622
736 EVO 0.8622
737 NCT 0.8621
738 L1T 0.8620
739 U7E 0.8619
740 PIM 0.8617
741 4NZ 0.8615
742 CZ0 0.8613
743 GAT 0.8612
744 8TX 0.8610
745 KUF 0.8610
746 6HP 0.8609
747 A51 0.8607
748 1V8 0.8606
749 URC 0.8605
750 PQ0 0.8605
751 J9N 0.8600
752 DAH 0.8600
753 D8Q 0.8599
754 AQN 0.8597
755 JAW 0.8596
756 PIY 0.8596
757 9FG 0.8595
758 QMS 0.8595
759 XAZ 0.8595
760 7EL 0.8595
761 ABI 0.8593
762 8WT 0.8593
763 KMP 0.8592
764 5VJ 0.8592
765 TZM 0.8591
766 5RP 0.8590
767 6FG 0.8588
768 4MB 0.8588
769 MAJ 0.8586
770 LFQ 0.8586
771 QBK 0.8583
772 FLV 0.8582
773 52F 0.8579
774 801 0.8578
775 AXX 0.8578
776 TOF 0.8576
777 ES2 0.8575
778 P81 0.8574
779 MIL 0.8573
780 GW3 0.8570
781 A7W 0.8570
782 5WN 0.8569
783 4NP 0.8569
784 9FH 0.8568
785 5GU 0.8568
786 51Y 0.8566
787 226 0.8566
788 75K 0.8566
789 3XH 0.8565
790 SRO 0.8562
791 MUA 0.8561
792 6L6 0.8559
793 STT 0.8552
794 Q77 0.8552
795 120 0.8552
796 MRW 0.8551
797 56D 0.8548
798 PTS 0.8546
799 52C 0.8542
800 RQD 0.8542
801 Z5P 0.8541
802 BX4 0.8540
803 P93 0.8533
804 2AK 0.8529
805 FBB 0.8524
806 8IG 0.8524
807 SNV 0.8519
808 VNL 0.8519
809 1X8 0.8517
810 K2T 0.8516
811 1V0 0.8511
812 DBQ 0.8505
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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