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Receptor
PDB id Resolution Class Description Source Keywords
4puj 1.42 Å EC: 2.4.2.29 TRNA-GUANINE TRANSGLYCOSYLASE (TGT) IN COMPLEX WITH 6-AMINO- (MORPHOLIN-4-YL)ETHYL]AMINO}-1H,7H,8H-IMIDAZO[4,5-G]QUINAZO ZYMOMONAS MOBILIS SUBSP. MOBILIS TRANSFERASE GUANINE EXCHANGE ENZYME GUANINE PREQ1 TRNA TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: CHASING PROTONS: HOW ISOTHERMAL TITRATION CALORIMET MUTAGENESIS, AND PKA CALCULATIONS TRACE THE LOCUS O IN LIGAND BINDING TO A TRNA-BINDING ENZYME. J.MED.CHEM. V. 57 5554 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:404;
A:405;
A:403;
A:402;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CL A:406;
Invalid;
none;
submit data
35.453 Cl [Cl-]
ZN A:401;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
CKR A:407;
Valid;
none;
Kd = 35 nM
329.357 C15 H19 N7 O2 c1c2c...
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 (53)
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 4Q4P Kd = 407.4 nM 2YO C16 H20 N6 O c1c2c(cc3c....
10 1K4H Ki = 7.7 uM APQ C12 H16 N4 O S CCCSCc1cc(....
11 1EFZ - PRF C7 H9 N5 O c1c(c2c([n....
12 3C2Y Ki = 1.5 uM S60 C10 H9 N5 O Cc1[nH]c2c....
13 1Y5X Ki = 3.7 uM E89 C18 H17 N5 O2 COc1ccc(cc....
14 1R5Y Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
15 3RR4 Ki = 28050 nM HRD C11 H12 N6 O CNc1[nH]c2....
16 3EOU Ki = 97 nM PK3 C12 H14 N6 O2 CNc1[nH]c2....
17 4Q4Q Kd = 1638.9 nM SAQ C14 H11 N5 O S c1cc(sc1)C....
18 4E2V - PRF C7 H9 N5 O c1c(c2c([n....
19 2Z1X - PRF C7 H9 N5 O c1c(c2c([n....
20 5JXQ Ki = 7 nM 6OK C19 H20 N6 O2 c1cc(ccc1C....
21 1Q66 Ki = 1.7 uM KMB C16 H16 N4 O S c1ccc(cc1)....
22 1N2V Ki = 83 uM BDI C9 H12 N4 O2 CCCCc1[nH]....
23 1Y5W Ki = 6.9 uM NEZ C18 H17 N5 O Cc1ccc(cc1....
24 1Q63 Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
25 4PUL Kd = 146.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
26 3GC4 Ki = 25 nM AAQ C19 H21 N7 O CNc1[nH]c2....
27 4LBU Ki = 286 nM 1WJ C18 H24 N6 O5 CNc1[nH]c2....
28 2Z1W - BDI C9 H12 N4 O2 CCCCc1[nH]....
29 1K4G Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
30 1P0E - PRF C7 H9 N5 O c1c(c2c([n....
31 4LEQ Ki = 217 nM 1WK C17 H22 N6 O5 CNc1[nH]c2....
32 1P0B - PQ0 C7 H5 N5 O c1c(c2c([n....
33 2POT - GUN C5 H5 N5 O c1[nH]c2c(....
34 2QZR Ki = 55 nM S79 C20 H16 N6 O c1ccc2c(c1....
35 4Q4O Kd = 34.3 nM 2YM C16 H21 N7 O c1c2c(cc3c....
36 3S1G Ki = 6500 nM ITE C10 H9 N5 O CNc1[nH]c2....
37 4PUM Kd = 188.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
38 1S38 Ki = 7 uM MAQ C9 H9 N3 O Cc1cccc2c1....
39 1Q65 Ki = 3.5 uM BHB C13 H19 N5 O S CN(C)CCSCc....
40 3EOS Ki = 4 nM PK2 C19 H27 N7 O CNc1[nH]c2....
41 1F3E Ki = 0.2 uM DPZ C8 H8 N4 O2 c1c(cc(c2c....
42 1Y5V Ki = 1 uM NE8 C17 H15 N5 O c1ccc(cc1)....
43 1OZQ - PRF C7 H9 N5 O c1c(c2c([n....
44 4PUJ Kd = 35 nM CKR C15 H19 N7 O2 c1c2c(cc3c....
45 2BBF Ki = 7.9 uM 344 C9 H7 N5 O c1c2c(cc3c....
46 1S39 Ki = 20 nM AQO C8 H7 N3 O c1ccc2c(c1....
47 3TLL Ki = 40830 nM 62D C12 H14 N6 O CCNC1=Nc2c....
48 4PUK Kd = 52.4 nM 2WU C10 H10 N6 O CNc1[nH]c2....
49 2PWV - PQ0 C7 H5 N5 O c1c(c2c([n....
50 3GC5 Ki = 55 nM 2MQ C12 H15 N7 O CNc1[nH]c2....
51 3GE7 Ki = 2 nM AFQ C18 H25 N7 O CNc1[nH]c2....
52 4Q4R Kd = 369.2 nM SQO C15 H18 N6 O2 c1c2c(cc3c....
53 1Q4W Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
70% Homology Family (53)
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 4Q4P Kd = 407.4 nM 2YO C16 H20 N6 O c1c2c(cc3c....
10 1K4H Ki = 7.7 uM APQ C12 H16 N4 O S CCCSCc1cc(....
11 1EFZ - PRF C7 H9 N5 O c1c(c2c([n....
12 3C2Y Ki = 1.5 uM S60 C10 H9 N5 O Cc1[nH]c2c....
13 1Y5X Ki = 3.7 uM E89 C18 H17 N5 O2 COc1ccc(cc....
14 1R5Y Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
15 3RR4 Ki = 28050 nM HRD C11 H12 N6 O CNc1[nH]c2....
16 3EOU Ki = 97 nM PK3 C12 H14 N6 O2 CNc1[nH]c2....
17 4Q4Q Kd = 1638.9 nM SAQ C14 H11 N5 O S c1cc(sc1)C....
18 4E2V - PRF C7 H9 N5 O c1c(c2c([n....
19 2Z1X - PRF C7 H9 N5 O c1c(c2c([n....
20 5JXQ Ki = 7 nM 6OK C19 H20 N6 O2 c1cc(ccc1C....
21 1Q66 Ki = 1.7 uM KMB C16 H16 N4 O S c1ccc(cc1)....
22 1N2V Ki = 83 uM BDI C9 H12 N4 O2 CCCCc1[nH]....
23 1Y5W Ki = 6.9 uM NEZ C18 H17 N5 O Cc1ccc(cc1....
24 1Q63 Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
25 4PUL Kd = 146.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
26 3GC4 Ki = 25 nM AAQ C19 H21 N7 O CNc1[nH]c2....
27 4LBU Ki = 286 nM 1WJ C18 H24 N6 O5 CNc1[nH]c2....
28 2Z1W - BDI C9 H12 N4 O2 CCCCc1[nH]....
29 1K4G Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
30 1P0E - PRF C7 H9 N5 O c1c(c2c([n....
31 4LEQ Ki = 217 nM 1WK C17 H22 N6 O5 CNc1[nH]c2....
32 1P0B - PQ0 C7 H5 N5 O c1c(c2c([n....
33 2POT - GUN C5 H5 N5 O c1[nH]c2c(....
34 2QZR Ki = 55 nM S79 C20 H16 N6 O c1ccc2c(c1....
35 4Q4O Kd = 34.3 nM 2YM C16 H21 N7 O c1c2c(cc3c....
36 3S1G Ki = 6500 nM ITE C10 H9 N5 O CNc1[nH]c2....
37 4PUM Kd = 188.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
38 1S38 Ki = 7 uM MAQ C9 H9 N3 O Cc1cccc2c1....
39 1Q65 Ki = 3.5 uM BHB C13 H19 N5 O S CN(C)CCSCc....
40 3EOS Ki = 4 nM PK2 C19 H27 N7 O CNc1[nH]c2....
41 1F3E Ki = 0.2 uM DPZ C8 H8 N4 O2 c1c(cc(c2c....
42 1Y5V Ki = 1 uM NE8 C17 H15 N5 O c1ccc(cc1)....
43 1OZQ - PRF C7 H9 N5 O c1c(c2c([n....
44 4PUJ Kd = 35 nM CKR C15 H19 N7 O2 c1c2c(cc3c....
45 2BBF Ki = 7.9 uM 344 C9 H7 N5 O c1c2c(cc3c....
46 1S39 Ki = 20 nM AQO C8 H7 N3 O c1ccc2c(c1....
47 3TLL Ki = 40830 nM 62D C12 H14 N6 O CCNC1=Nc2c....
48 4PUK Kd = 52.4 nM 2WU C10 H10 N6 O CNc1[nH]c2....
49 2PWV - PQ0 C7 H5 N5 O c1c(c2c([n....
50 3GC5 Ki = 55 nM 2MQ C12 H15 N7 O CNc1[nH]c2....
51 3GE7 Ki = 2 nM AFQ C18 H25 N7 O CNc1[nH]c2....
52 4Q4R Kd = 369.2 nM SQO C15 H18 N6 O2 c1c2c(cc3c....
53 1Q4W Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
50% Homology Family (55)
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 4Q4P Kd = 407.4 nM 2YO C16 H20 N6 O c1c2c(cc3c....
10 1K4H Ki = 7.7 uM APQ C12 H16 N4 O S CCCSCc1cc(....
11 1EFZ - PRF C7 H9 N5 O c1c(c2c([n....
12 3C2Y Ki = 1.5 uM S60 C10 H9 N5 O Cc1[nH]c2c....
13 1Y5X Ki = 3.7 uM E89 C18 H17 N5 O2 COc1ccc(cc....
14 1R5Y Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
15 3RR4 Ki = 28050 nM HRD C11 H12 N6 O CNc1[nH]c2....
16 3EOU Ki = 97 nM PK3 C12 H14 N6 O2 CNc1[nH]c2....
17 4Q4Q Kd = 1638.9 nM SAQ C14 H11 N5 O S c1cc(sc1)C....
18 4E2V - PRF C7 H9 N5 O c1c(c2c([n....
19 2Z1X - PRF C7 H9 N5 O c1c(c2c([n....
20 5JXQ Ki = 7 nM 6OK C19 H20 N6 O2 c1cc(ccc1C....
21 1Q66 Ki = 1.7 uM KMB C16 H16 N4 O S c1ccc(cc1)....
22 1N2V Ki = 83 uM BDI C9 H12 N4 O2 CCCCc1[nH]....
23 1Y5W Ki = 6.9 uM NEZ C18 H17 N5 O Cc1ccc(cc1....
24 1Q63 Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
25 4PUL Kd = 146.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
26 3GC4 Ki = 25 nM AAQ C19 H21 N7 O CNc1[nH]c2....
27 4LBU Ki = 286 nM 1WJ C18 H24 N6 O5 CNc1[nH]c2....
28 2Z1W - BDI C9 H12 N4 O2 CCCCc1[nH]....
29 1K4G Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
30 1P0E - PRF C7 H9 N5 O c1c(c2c([n....
31 4LEQ Ki = 217 nM 1WK C17 H22 N6 O5 CNc1[nH]c2....
32 1P0B - PQ0 C7 H5 N5 O c1c(c2c([n....
33 2POT - GUN C5 H5 N5 O c1[nH]c2c(....
34 2QZR Ki = 55 nM S79 C20 H16 N6 O c1ccc2c(c1....
35 4Q4O Kd = 34.3 nM 2YM C16 H21 N7 O c1c2c(cc3c....
36 3S1G Ki = 6500 nM ITE C10 H9 N5 O CNc1[nH]c2....
37 4PUM Kd = 188.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
38 1S38 Ki = 7 uM MAQ C9 H9 N3 O Cc1cccc2c1....
39 1Q65 Ki = 3.5 uM BHB C13 H19 N5 O S CN(C)CCSCc....
40 3EOS Ki = 4 nM PK2 C19 H27 N7 O CNc1[nH]c2....
41 1F3E Ki = 0.2 uM DPZ C8 H8 N4 O2 c1c(cc(c2c....
42 1Y5V Ki = 1 uM NE8 C17 H15 N5 O c1ccc(cc1)....
43 1OZQ - PRF C7 H9 N5 O c1c(c2c([n....
44 4PUJ Kd = 35 nM CKR C15 H19 N7 O2 c1c2c(cc3c....
45 2BBF Ki = 7.9 uM 344 C9 H7 N5 O c1c2c(cc3c....
46 1S39 Ki = 20 nM AQO C8 H7 N3 O c1ccc2c(c1....
47 3TLL Ki = 40830 nM 62D C12 H14 N6 O CCNC1=Nc2c....
48 4PUK Kd = 52.4 nM 2WU C10 H10 N6 O CNc1[nH]c2....
49 2PWV - PQ0 C7 H5 N5 O c1c(c2c([n....
50 3GC5 Ki = 55 nM 2MQ C12 H15 N7 O CNc1[nH]c2....
51 3GE7 Ki = 2 nM AFQ C18 H25 N7 O CNc1[nH]c2....
52 4Q4R Kd = 369.2 nM SQO C15 H18 N6 O2 c1c2c(cc3c....
53 1Q4W Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
54 6H42 - GGL C5 H9 N O4 C(CC(=O)O)....
55 6H45 - QEI C12 H15 N5 O3 c1c(c2c([n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CKR; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 CKR 1 1
2 SQO 0.561798 0.969697
3 2WU 0.552632 0.632353
4 S79 0.484536 0.727273
5 2YM 0.478723 0.895522
6 6OK 0.478723 0.850746
7 S98 0.4375 0.695652
8 2YO 0.40625 0.865672
9 S60 0.404762 0.632353
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: 272
This union binding pocket(no: 1) in the query (biounit: 3ge7.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 5CLO NS8 None
2 1C4Q GLA GAL BGC None
3 3WCS MAN NAG GAL 0.787402
4 3JU6 ANP 1.08108
5 3QP8 HL0 1.08696
6 5EVY SAL 1.29534
7 5X1M DHB 1.29534
8 4CQB MLI 1.29534
9 5TPV TYD 1.30719
10 2V7O DRN 1.4881
11 1D8C GLV 1.5544
12 5H9Y BGC BGC BGC BGC BGC 1.5544
13 5EF7 5OJ 1.64835
14 3KYF 5GP 5GP 1.7316
15 1IGW PYR 1.81347
16 5IN3 G1P 1.81347
17 5IKI A9H 1.81347
18 2WME NAP 1.81347
19 5DNK SAH 1.81347
20 4GCZ FMN 1.81818
21 2XRH NIO 2
22 4CCW VKC 2.00669
23 2QK4 ATP 2.07254
24 4L77 CNL 2.07254
25 4RD0 GDP 2.07254
26 4RF7 ARG 2.07254
27 1SR9 KIV 2.07254
28 5L2R MLA 2.07254
29 5MRH Q9Z 2.07254
30 2G50 PYR 2.07254
31 4ZU5 THM 2.08333
32 3EC1 GDP 2.16802
33 3TKY N7I 2.17391
34 1FZQ GDP 2.20994
35 1Q6I FK5 2.23214
36 1JPA ANP 2.24359
37 4TX6 38B 2.25806
38 4XDA RIB 2.26537
39 3NZ1 3NY 2.29885
40 4L80 OXL 2.29885
41 2Z6C FMN 2.32558
42 5KJW 53C 2.33161
43 3TTY GLA 2.33161
44 5DGR GCS 2.33161
45 3HQP OXL 2.33161
46 2C5S AMP 2.33161
47 2DUR MAN MAN 2.37154
48 3DLS ADP 2.38806
49 2WKQ FMN 2.40964
50 3BP1 GUN 2.41379
51 5M04 GDP 2.5
52 4IEE AGS 2.59067
53 1DAR GDP 2.59067
54 3R75 PYR 2.59067
55 5ZAI COA 2.7027
56 3OQJ 3CX 2.72374
57 3PB9 1BN 2.72727
58 3AI8 HNQ 2.73438
59 5FU3 BGC BGC BGC 2.83019
60 2IF8 ADP 2.84974
61 5GNX BGC 2.84974
62 4AVV GHE 2.94118
63 4AVV CD 2.94118
64 6HDT BTN 3.00752
65 1ZPR CB3 3.0303
66 2A9W GA9 3.0303
67 1NCE CB3 3.0303
68 1DNA CB3 3.0303
69 1BQ1 CB3 3.0303
70 6CDZ CB3 3.04183
71 4L9Z OXL 3.10881
72 2QS8 MET 3.10881
73 2Z49 AMG 3.10881
74 2Z48 NGA 3.10881
75 3SAO DBH 3.125
76 4OAS 2SW 3.125
77 1EJH M7G 3.15789
78 1I58 ADP 3.1746
79 2D3Y DU 3.19635
80 3I54 CMP 3.21285
81 4FCW ADP 3.21543
82 5W7Q GDP 3.21716
83 3F81 STT 3.27869
84 3HAV ATP 3.34448
85 2PTZ PAH 3.36788
86 3U6B GDP 3.36788
87 1D8T GDP 3.36788
88 4XJ7 ADE 3.37079
89 4LO2 GAL BGC 3.40136
90 5YAK YOF 3.40909
91 1XK5 TPG 3.43137
92 2F7A BEZ 3.44828
93 4BS0 6NT 3.45912
94 2Z3U CRR 3.52941
95 4CYD CMP 3.55556
96 2NTK IMP 3.6036
97 4FFG 0U8 3.62694
98 6C4A PYR 3.62694
99 6B2W AG2 3.62694
100 6FA4 D1W 3.62694
101 3B00 16A 3.67647
102 1XTT U5P 3.7037
103 3T7V MD0 3.71429
104 2WJG GDP 3.7234
105 2R09 4IP 3.7464
106 3KIF GDL 3.77358
107 1F8Y 5MD 3.82166
108 4OUE IPT 3.88601
109 2Z4T C5P 3.88601
110 4ZCW 4NG 3.88601
111 4J0Q GDP 3.88601
112 2A9G ARG 3.88601
113 4FBL SPD 3.91459
114 3FSY SCA 3.91566
115 3WSG CIT 3.96825
116 3KP6 SAL 3.97351
117 5KBF CMP 3.98671
118 1U1W 3HA 4.02685
119 1F9V ADP 4.03458
120 2V0U FMN 4.10959
121 6BYF CIT 4.11765
122 1EC9 XYH 4.14508
123 5H7J GCP 4.14508
124 5KK4 44E 4.16667
125 5AOV GLV 4.16667
126 1VRP IOM 4.19948
127 4MOB ADP 4.21687
128 4CQK PIO 4.25532
129 4YJK URA 4.36508
130 1KWK GAL 4.40415
131 5JST MAL 4.40415
132 2NSX IFM 4.40415
133 5YSN 5AD 4.40678
134 5H9P TD2 4.43038
135 1BC5 ACE ASN TRP GLU THR PHE 4.46097
136 4YEF 4CQ 4.49438
137 5E5U MLI 4.54545
138 3DXY SAM 4.58716
139 2R0D 4IP 4.61095
140 2ZQO NGA 4.61538
141 2VT3 ATP 4.65116
142 3CV2 OXL 4.66321
143 4GNC ASO 4.68227
144 1V59 NAD 4.92228
145 4XR8 MAL 5.02513
146 4MA6 28E 5.09554
147 2AL2 PEP 5.18135
148 1EBG PAH 5.18135
149 1PDZ PGA 5.18135
150 4AZC NGW 5.18135
151 2AL2 2PG 5.18135
152 2YKL NLD 5.18868
153 2YDW WSH 5.22876
154 2BES RES 5.23256
155 3H22 B53 5.38721
156 2DVZ GLU 5.41401
157 4KBA 1QM 5.43807
158 4TVD BGC 5.44041
159 4UOX PLP 5.44041
160 2HK9 ATR 5.45455
161 1FAO 4IP 5.55556
162 4I9A NCN 5.55556
163 2XZ9 PYR 5.55556
164 3GAY P6T 5.57276
165 3A76 SPD 5.68182
166 1OJK GLC BGC 5.69948
167 4MBY BGC SIA GAL 5.7554
168 1ONI BEZ 5.7971
169 2P3V SRT 5.85938
170 1OBD ATP 5.88235
171 1RJW ETF 5.8997
172 4P3Y GDP 6.04396
173 4GQY AMP 6.06061
174 5DYO FLU 6.13208
175 1FQK ALF 6.15385
176 2ZWI C5P 6.16622
177 5UL4 SAM 6.21762
178 3FGZ BEF 6.25
179 6FC1 MGP 6.25
180 2AAZ CB3 6.30915
181 2Q8M AMP 6.3253
182 1SDW IYT 6.36943
183 1G1T SIA GAL MAG FUC 6.36943
184 2QN6 GDP 6.45161
185 2YKX AKG 6.47668
186 2OVW CBI 6.47668
187 1JG9 GLC 6.47668
188 4I6H 1C8 6.49351
189 1RZM PEP 6.50888
190 3C56 PH4 6.51466
191 1WHT BZS 6.53595
192 2PTM CMP 6.56566
193 4B7H NDP 6.73575
194 4RW3 IPD 6.73575
195 3AKK ADP 6.76923
196 2YX1 SFG 6.84524
197 5G48 1FL 6.95187
198 4GGZ BTN 6.95652
199 3T4L ZEA 7.03704
200 3NIP 16D 7.05521
201 1NXJ TLA 7.10383
202 4R38 RBF 7.14286
203 1Y9Q MED 7.29167
204 1RRC ADP 7.30897
205 2BOS GLA GAL GLC NBU 7.35294
206 2BOS GLA GAL GLC 7.35294
207 2BOS GLA GAL 7.35294
208 3EW2 BTN 7.40741
209 4C2W ANP 7.52688
210 5DKK FMN 7.58621
211 1W2D ADP 7.92453
212 3ZCB ATP 8.06452
213 5K8S CMP 8.10811
214 1IS3 LAT 8.14815
215 5Y4R C2E 8.16327
216 3T2W BTN 8.19672
217 5OCS CIT 8.35579
218 1MAI I3P 8.39695
219 3P7N FMN 8.54922
220 6AP8 BNY 8.55019
221 4PYA 2X3 8.69565
222 2WR1 SIA GAL NAG 8.80829
223 4X17 SIA 8.82353
224 4X17 SIA SIA 8.82353
225 6GNO XDI 8.88889
226 1UPR 4IP 8.94309
227 3AB4 THR 8.98876
228 4EES FMN 9.56522
229 4IF4 BEF 9.61539
230 5ZCT ANP 9.80392
231 1Y7P RIP 9.86547
232 4LFL TG6 9.88372
233 5OCG 9R5 10.0529
234 1FHX 4IP 10.0775
235 3T50 FMN 10.1562
236 5TVM PUT 10.5882
237 5AZC PGT 10.6667
238 4Z7X 3CX 10.9244
239 2W9S TOP 11.1801
240 5BXV MGP 11.3636
241 3KRU FMN 11.3703
242 1T9D PYD 11.399
243 1T9D 1MM 11.399
244 1T9D FAD 11.399
245 1T9D P25 11.399
246 5EFW FMN 11.6667
247 5YRV 5AD 12.4088
248 2QBU SAH 12.931
249 1KC7 PPR 13.2124
250 4CJN QNZ 13.4715
251 4MJ0 SIA SIA GAL 13.8182
252 4MJ0 BGC SIA SIA GAL 13.8182
253 4MJ0 SIA SIA 13.8182
254 4ITH RCM 13.9456
255 1TZD ADP 14.1818
256 2XG5 EC2 15.5963
257 2XG5 EC5 15.5963
258 2Z6D FMN 16.1538
259 2HCJ GDP 16.2162
260 4R84 CSF 17.0984
261 4M1U A2G MBG 17.1429
262 2GBB CIT 17.3077
263 2PR5 FMN 17.4242
264 3KLL MAL 18.1347
265 1FQJ ALF 19.0476
266 4POS NAG SIA GAL 19.4245
267 2ALG DAO 19.5652
268 4OFG PCG 20.1389
269 5FII PHE 20.5882
270 5L8L ADP 22.2222
271 3TA2 AKG 22.8814
272 4DXG NDG FUC SIA GAL 25.4902
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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