Receptor
PDB id Resolution Class Description Source Keywords
6QO3 1.65 Å EC: 2.1.1.228 CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH FRAGMENT 2 (5-AMINOT HIENYL) PYRAZOLE) MYCOBACTERIUM ABSCESSUS TRMD TRNA METHYLTRANSFERASE SPOUT METHYLTRANSFERASE TRANS
Ref.: FRAGMENT-BASED DISCOVERY OF A NEW CLASS OF INHIBITO TARGETING MYCOBACTERIAL TRNA MODIFICATION. NUCLEIC ACIDS RES. V. 48 8099 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
J9N A:301;
B:301;
 Valid;
Valid;
 none;
none;
 submit data
165.216 C7 H7 N3 S c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6QRB 1.66 Å EC: 2.1.1.228 CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH INHIBITOR MYCOBACTERIUM ABSCESSUS TRMD TRNA METHYLTRANSFERASE SPOUT METHYLTRANSFERASE TRANS
Ref.: DEVELOPMENT OF INHIBITORS AGAINST MYCOBACTERIUM ABS TRNA (M 1 G37) METHYLTRANSFERASE (TRMD) USING FRAGM APPROACHES. J.MED.CHEM. V. 62 7210 2019
Members (54)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6QQR - JDN C8 H8 B N O2 B(c1ccc2c(....
2 6QOA - JBN C4 H4 N2 O2 c1cnoc1C(=....
3 6QOF - ADE C5 H5 N5 c1[nH]c2c(....
4 6QQY Kd = 0.5 uM JD2 C18 H14 N6 c1ccnc(c1)....
5 6QRF Kd = 33 uM JF5 C11 H10 N2 O2 c1ccc(cc1)....
6 6QOJ - JBH C8 H8 N2 O c1ccc2c(c1....
7 6QR5 Kd = 0.49 uM JFH C23 H25 N5 c1cc(ccc1C....
8 6QOR - JBK C6 H6 N2 O3 c1cc(c(c(c....
9 6QON - J9W C8 H5 N O3 c1ccc2c(c1....
10 6QOO - JAB C4 H4 N2 O S c1cnoc1C(=....
11 6QOK - J9T C7 H8 N2 O2 COC(=O)c1c....
12 6QR6 Kd = 0.027 uM JCK C24 H24 N6 c1cc(ccc1C....
13 6QQS Kd = 110 uM JCZ C11 H10 N4 c1cc(cc2c1....
14 6QQZ Kd = 0.18 uM JEB C18 H14 N6 c1cc(cnc1)....
15 6QO4 - 97T C9 H7 N O2 c1ccc(c(c1....
16 6QQW Kd = 19 uM JDQ C18 H16 N4 c1ccc(cc1)....
17 6QQT Kd = 59 uM JCH C19 H18 N4 O COc1ccc(cc....
18 6QQQ Kd = 6.7 uM JDE C17 H15 N3 O3 COc1cc(cc(....
19 6QOC - J9Q C9 H8 N2 O c1ccc(c(c1....
20 6NW6 - SAM C15 H22 N6 O5 S C[S@@+](CC....
21 6QO3 - J9N C7 H7 N3 S c1cc(sc1)C....
22 6QR7 Kd = 70 nM JEK C25 H26 N6 c1cc(ccc1C....
23 6QOT Kd = 0.17 mM 6SD C10 H11 N3 O COc1ccc(cc....
24 6QR0 Kd = 0.12 uM JFB C18 H14 N6 c1cc(cc2c1....
25 6QR9 Kd = 190 nM JEE C24 H24 N6 O c1cc(ccc1C....
26 6QOQ - JAE C7 H6 N2 S c1cc2c(cc1....
27 6QOD - FBB C7 H5 F N2 S c1cc2c(cc1....
28 6QOV - JAH C12 H12 N2 c1ccc(cc1)....
29 6QR1 Kd = 8.5 uM JFT C18 H13 Cl N6 c1cc(cnc1)....
30 6QOI - ABV C7 H6 N2 S c1ccc2c(c1....
31 6QRC Kd = 13 uM JFE C19 H18 N4 O COc1cccc(c....
32 6QOW - JBZ C9 H7 N O3 S COc1ccc2c(....
33 6QRE Kd = 14 uM JCQ C12 H12 N2 O3 COc1cccc(c....
34 6QOX - JA5 C9 H9 N O3 S COC(=O)c1c....
35 6QOG - JA8 C7 H5 Br N2 S c1cc2c(cc1....
36 6QR2 Kd = 3.2 uM JQB C18 H14 N6 O c1cc(c(nc1....
37 6QQV Kd = 12 uM JEW C19 H15 N5 c1ccc(c(c1....
38 6NW7 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
39 6QRA Kd = 710 nM JDK C24 H27 N5 c1cc(ccc1C....
40 6QOS - GOJ C6 H8 N2 O2 CCOC(=O)c1....
41 6QRB Kd = 27 nM JEQ C25 H26 N6 c1ccc(cc1)....
42 6QR8 Kd = 0.073 uM JDH C25 H27 N7 CN1CCN(CC1....
43 6QO6 - 5OB C8 H8 N2 O COc1ccc2c(....
44 6QRD Kd = 100 nM JEH C27 H31 N7 CC(C)N1CCN....
45 6QOH - 6GU C5 H4 Cl N5 c1[nH]c2c(....
46 6QOP - JBQ C8 H7 F N2 O c1cc2c(c(c....
47 6QR3 Kd = 0.36 uM JE8 C19 H22 N6 CN1CCC[C@@....
48 6QOL - JB5 C8 H7 N3 c1cc2c(cc1....
49 6QQU Kd = 5 uM JF8 C12 H9 N5 c1cc(cc2c1....
50 6QOM - JBE C5 H5 N3 O2 c1cc(c(nc1....
51 6QRG Kd = 10 uM JET C14 H14 N2 O5 COC(=O)COc....
52 6QR4 Kd = 0.59 uM JD8 C19 H22 N6 CN1CCCC[C@....
53 6QO2 - JAW C9 H8 N2 O c1cc2c(cc[....
54 6QOU Kd = 0.26 mM JB8 C8 H8 B N O2 B(c1ccc2cc....
70% Homology Family (58)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6QQR - JDN C8 H8 B N O2 B(c1ccc2c(....
2 6QOA - JBN C4 H4 N2 O2 c1cnoc1C(=....
3 6QOF - ADE C5 H5 N5 c1[nH]c2c(....
4 6QQY Kd = 0.5 uM JD2 C18 H14 N6 c1ccnc(c1)....
5 6QRF Kd = 33 uM JF5 C11 H10 N2 O2 c1ccc(cc1)....
6 6QOJ - JBH C8 H8 N2 O c1ccc2c(c1....
7 6QR5 Kd = 0.49 uM JFH C23 H25 N5 c1cc(ccc1C....
8 6QOR - JBK C6 H6 N2 O3 c1cc(c(c(c....
9 6QON - J9W C8 H5 N O3 c1ccc2c(c1....
10 6QOO - JAB C4 H4 N2 O S c1cnoc1C(=....
11 6QOK - J9T C7 H8 N2 O2 COC(=O)c1c....
12 6QR6 Kd = 0.027 uM JCK C24 H24 N6 c1cc(ccc1C....
13 6QQS Kd = 110 uM JCZ C11 H10 N4 c1cc(cc2c1....
14 6QQZ Kd = 0.18 uM JEB C18 H14 N6 c1cc(cnc1)....
15 6QO4 - 97T C9 H7 N O2 c1ccc(c(c1....
16 6QQW Kd = 19 uM JDQ C18 H16 N4 c1ccc(cc1)....
17 6QQT Kd = 59 uM JCH C19 H18 N4 O COc1ccc(cc....
18 6QQQ Kd = 6.7 uM JDE C17 H15 N3 O3 COc1cc(cc(....
19 6QOC - J9Q C9 H8 N2 O c1ccc(c(c1....
20 6NW6 - SAM C15 H22 N6 O5 S C[S@@+](CC....
21 6QO3 - J9N C7 H7 N3 S c1cc(sc1)C....
22 6QR7 Kd = 70 nM JEK C25 H26 N6 c1cc(ccc1C....
23 6QOT Kd = 0.17 mM 6SD C10 H11 N3 O COc1ccc(cc....
24 6QR0 Kd = 0.12 uM JFB C18 H14 N6 c1cc(cc2c1....
25 6QR9 Kd = 190 nM JEE C24 H24 N6 O c1cc(ccc1C....
26 6QOQ - JAE C7 H6 N2 S c1cc2c(cc1....
27 6QOD - FBB C7 H5 F N2 S c1cc2c(cc1....
28 6QOV - JAH C12 H12 N2 c1ccc(cc1)....
29 6QR1 Kd = 8.5 uM JFT C18 H13 Cl N6 c1cc(cnc1)....
30 6QOI - ABV C7 H6 N2 S c1ccc2c(c1....
31 6QRC Kd = 13 uM JFE C19 H18 N4 O COc1cccc(c....
32 6QOW - JBZ C9 H7 N O3 S COc1ccc2c(....
33 6QRE Kd = 14 uM JCQ C12 H12 N2 O3 COc1cccc(c....
34 6QOX - JA5 C9 H9 N O3 S COC(=O)c1c....
35 6QOG - JA8 C7 H5 Br N2 S c1cc2c(cc1....
36 6QR2 Kd = 3.2 uM JQB C18 H14 N6 O c1cc(c(nc1....
37 6QQV Kd = 12 uM JEW C19 H15 N5 c1ccc(c(c1....
38 6NW7 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
39 6QRA Kd = 710 nM JDK C24 H27 N5 c1cc(ccc1C....
40 6QOS - GOJ C6 H8 N2 O2 CCOC(=O)c1....
41 6QRB Kd = 27 nM JEQ C25 H26 N6 c1ccc(cc1)....
42 6QR8 Kd = 0.073 uM JDH C25 H27 N7 CN1CCN(CC1....
43 6QO6 - 5OB C8 H8 N2 O COc1ccc2c(....
44 6QRD Kd = 100 nM JEH C27 H31 N7 CC(C)N1CCN....
45 6QOH - 6GU C5 H4 Cl N5 c1[nH]c2c(....
46 6QOP - JBQ C8 H7 F N2 O c1cc2c(c(c....
47 6QR3 Kd = 0.36 uM JE8 C19 H22 N6 CN1CCC[C@@....
48 6QOL - JB5 C8 H7 N3 c1cc2c(cc1....
49 6QQU Kd = 5 uM JF8 C12 H9 N5 c1cc(cc2c1....
50 6QOM - JBE C5 H5 N3 O2 c1cc(c(nc1....
51 6QRG Kd = 10 uM JET C14 H14 N2 O5 COC(=O)COc....
52 6QR4 Kd = 0.59 uM JD8 C19 H22 N6 CN1CCCC[C@....
53 6QO2 - JAW C9 H8 N2 O c1cc2c(cc[....
54 6QOU Kd = 0.26 mM JB8 C8 H8 B N O2 B(c1ccc2cc....
55 5ZHJ Kd = 10.1 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
56 5ZHL Kd = 0.19 uM 9D0 C23 H30 N4 O2 S CCCCCCCCNC....
57 5ZHK - 9D6 C23 H28 N4 O2 S CCN(Cc1ccc....
58 6JOF Kd = 10.4 uM BWR C20 H23 N5 O2 S c1cc(ccc1C....
50% Homology Family (69)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6QQR - JDN C8 H8 B N O2 B(c1ccc2c(....
2 6QOA - JBN C4 H4 N2 O2 c1cnoc1C(=....
3 6QOF - ADE C5 H5 N5 c1[nH]c2c(....
4 6QQY Kd = 0.5 uM JD2 C18 H14 N6 c1ccnc(c1)....
5 6QRF Kd = 33 uM JF5 C11 H10 N2 O2 c1ccc(cc1)....
6 6QOJ - JBH C8 H8 N2 O c1ccc2c(c1....
7 6QR5 Kd = 0.49 uM JFH C23 H25 N5 c1cc(ccc1C....
8 6QOR - JBK C6 H6 N2 O3 c1cc(c(c(c....
9 6QON - J9W C8 H5 N O3 c1ccc2c(c1....
10 6QOO - JAB C4 H4 N2 O S c1cnoc1C(=....
11 6QOK - J9T C7 H8 N2 O2 COC(=O)c1c....
12 6QR6 Kd = 0.027 uM JCK C24 H24 N6 c1cc(ccc1C....
13 6QQS Kd = 110 uM JCZ C11 H10 N4 c1cc(cc2c1....
14 6QQZ Kd = 0.18 uM JEB C18 H14 N6 c1cc(cnc1)....
15 6QO4 - 97T C9 H7 N O2 c1ccc(c(c1....
16 6QQW Kd = 19 uM JDQ C18 H16 N4 c1ccc(cc1)....
17 6QQT Kd = 59 uM JCH C19 H18 N4 O COc1ccc(cc....
18 6QQQ Kd = 6.7 uM JDE C17 H15 N3 O3 COc1cc(cc(....
19 6QOC - J9Q C9 H8 N2 O c1ccc(c(c1....
20 6NW6 - SAM C15 H22 N6 O5 S C[S@@+](CC....
21 6QO3 - J9N C7 H7 N3 S c1cc(sc1)C....
22 6QR7 Kd = 70 nM JEK C25 H26 N6 c1cc(ccc1C....
23 6QOT Kd = 0.17 mM 6SD C10 H11 N3 O COc1ccc(cc....
24 6QR0 Kd = 0.12 uM JFB C18 H14 N6 c1cc(cc2c1....
25 6QR9 Kd = 190 nM JEE C24 H24 N6 O c1cc(ccc1C....
26 6QOQ - JAE C7 H6 N2 S c1cc2c(cc1....
27 6QOD - FBB C7 H5 F N2 S c1cc2c(cc1....
28 6QOV - JAH C12 H12 N2 c1ccc(cc1)....
29 6QR1 Kd = 8.5 uM JFT C18 H13 Cl N6 c1cc(cnc1)....
30 6QOI - ABV C7 H6 N2 S c1ccc2c(c1....
31 6QRC Kd = 13 uM JFE C19 H18 N4 O COc1cccc(c....
32 6QOW - JBZ C9 H7 N O3 S COc1ccc2c(....
33 6QRE Kd = 14 uM JCQ C12 H12 N2 O3 COc1cccc(c....
34 6QOX - JA5 C9 H9 N O3 S COC(=O)c1c....
35 6QOG - JA8 C7 H5 Br N2 S c1cc2c(cc1....
36 6QR2 Kd = 3.2 uM JQB C18 H14 N6 O c1cc(c(nc1....
37 6QQV Kd = 12 uM JEW C19 H15 N5 c1ccc(c(c1....
38 6NW7 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
39 6QRA Kd = 710 nM JDK C24 H27 N5 c1cc(ccc1C....
40 6QOS - GOJ C6 H8 N2 O2 CCOC(=O)c1....
41 6QRB Kd = 27 nM JEQ C25 H26 N6 c1ccc(cc1)....
42 6QR8 Kd = 0.073 uM JDH C25 H27 N7 CN1CCN(CC1....
43 6QO6 - 5OB C8 H8 N2 O COc1ccc2c(....
44 6QRD Kd = 100 nM JEH C27 H31 N7 CC(C)N1CCN....
45 6QOH - 6GU C5 H4 Cl N5 c1[nH]c2c(....
46 6QOP - JBQ C8 H7 F N2 O c1cc2c(c(c....
47 6QR3 Kd = 0.36 uM JE8 C19 H22 N6 CN1CCC[C@@....
48 6QOL - JB5 C8 H7 N3 c1cc2c(cc1....
49 6QQU Kd = 5 uM JF8 C12 H9 N5 c1cc(cc2c1....
50 6QOM - JBE C5 H5 N3 O2 c1cc(c(nc1....
51 6QRG Kd = 10 uM JET C14 H14 N2 O5 COC(=O)COc....
52 6QR4 Kd = 0.59 uM JD8 C19 H22 N6 CN1CCCC[C@....
53 6QO2 - JAW C9 H8 N2 O c1cc2c(cc[....
54 6QOU Kd = 0.26 mM JB8 C8 H8 B N O2 B(c1ccc2cc....
55 6JOE Kd = 0.091 uM BWR C20 H23 N5 O2 S c1cc(ccc1C....
56 4MCD ic50 = 4.7 uM 22L C12 H8 N2 O S c1ccc(cc1)....
57 3AXZ Kd = 372 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
58 4MCC ic50 = 0.56 uM 21X C15 H14 N4 O2 S c1cc(ccc1C....
59 1UAK - SAM C15 H22 N6 O5 S C[S@@+](CC....
60 4YVH - SFG C15 H23 N7 O5 c1nc(c2c(n....
61 1UAL - SAH C14 H20 N6 O5 S c1nc(c2c(n....
62 1UAM - SAH C14 H20 N6 O5 S c1nc(c2c(n....
63 4YVG - SAM C15 H22 N6 O5 S C[S@@+](CC....
64 4MCB ic50 = 1.5 uM 21W C19 H18 N6 O2 S c1cc(ccc1C....
65 5ZHJ Kd = 10.1 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
66 5ZHL Kd = 0.19 uM 9D0 C23 H30 N4 O2 S CCCCCCCCNC....
67 5ZHK - 9D6 C23 H28 N4 O2 S CCN(Cc1ccc....
68 6JOF Kd = 10.4 uM BWR C20 H23 N5 O2 S c1cc(ccc1C....
69 1P9P Kd = 68 nM SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: J9N; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 J9N 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: J9N; Similar ligands found: 936
No: Ligand Similarity coefficient
1 7VP 1.0000
2 HX4 0.9942
3 IWT 0.9868
4 M3H 0.9783
5 BNL 0.9740
6 MSR 0.9727
7 2F6 0.9724
8 PIM 0.9718
9 M45 0.9703
10 0NX 0.9697
11 4PN 0.9691
12 MPV 0.9688
13 PIY 0.9686
14 SNU 0.9662
15 0BP 0.9660
16 A5E 0.9625
17 PO6 0.9623
18 TT4 0.9621
19 K34 0.9612
20 RA7 0.9603
21 GVG 0.9602
22 D3G 0.9587
23 492 0.9579
24 TYL 0.9576
25 BHO 0.9570
26 795 0.9566
27 CFI 0.9564
28 NIZ 0.9563
29 TZF 0.9548
30 CH9 0.9542
31 PPY 0.9537
32 HDH 0.9535
33 EOU 0.9533
34 HC4 0.9533
35 NCT 0.9531
36 HIS 0.9525
37 TIH 0.9521
38 A29 0.9513
39 ISZ 0.9510
40 F4E 0.9486
41 XDK 0.9477
42 FBM 0.9472
43 YZM 0.9471
44 PKU 0.9470
45 HHI 0.9466
46 4V2 0.9462
47 AKG 0.9450
48 CPZ 0.9445
49 GVY 0.9440
50 S2G 0.9430
51 AOT 0.9429
52 OGA 0.9423
53 PJW 0.9423
54 173 0.9417
55 2HG 0.9416
56 4BZ 0.9416
57 J9Q 0.9412
58 E5X 0.9411
59 92G 0.9411
60 DE5 0.9411
61 C1M 0.9407
62 F9P 0.9403
63 428 0.9403
64 L5V 0.9400
65 BZ2 0.9396
66 OTR 0.9395
67 HNL 0.9386
68 I1E 0.9383
69 HSO 0.9382
70 L22 0.9381
71 M4T 0.9381
72 2BG 0.9378
73 N2Z 0.9375
74 61M 0.9373
75 4P5 0.9372
76 PHE 0.9371
77 N2I 0.9371
78 069 0.9365
79 RJY 0.9362
80 TIU 0.9362
81 7O4 0.9358
82 36Y 0.9356
83 1L5 0.9355
84 PHU 0.9351
85 TPA 0.9350
86 GLN 0.9350
87 ESP 0.9348
88 4WL 0.9347
89 4JQ 0.9347
90 9CA 0.9345
91 DHI 0.9344
92 KTJ 0.9344
93 J9T 0.9343
94 3PF 0.9342
95 5QY 0.9342
96 ICB 0.9341
97 HCI 0.9340
98 MQN 0.9338
99 1IT 0.9336
100 GJZ 0.9335
101 HQJ 0.9334
102 H42 0.9333
103 ESX 0.9333
104 N9J 0.9330
105 XIZ 0.9329
106 6FZ 0.9328
107 XIY 0.9325
108 8ZE 0.9324
109 TCA 0.9324
110 NFA 0.9323
111 6TZ 0.9316
112 9FL 0.9315
113 FHC 0.9315
114 KDV 0.9312
115 D48 0.9312
116 RUY 0.9309
117 97T 0.9309
118 PHB 0.9305
119 YRL 0.9302
120 OK7 0.9302
121 R20 0.9300
122 PAB 0.9297
123 HIC 0.9294
124 URO 0.9294
125 LNR 0.9290
126 03V 0.9289
127 152 0.9289
128 268 0.9287
129 4ZA 0.9286
130 J6W 0.9284
131 6NT 0.9284
132 1M2 0.9281
133 PAC 0.9278
134 7MU 0.9278
135 HBD 0.9277
136 JB5 0.9274
137 CWJ 0.9274
138 FK8 0.9273
139 HL5 0.9272
140 COU 0.9268
141 G3E 0.9267
142 2AQ 0.9267
143 GLU 0.9267
144 XRG 0.9266
145 ET2 0.9264
146 GUA 0.9263
147 PBZ 0.9260
148 L99 0.9258
149 SN4 0.9254
150 BNF 0.9254
151 ZZA 0.9252
152 1Z6 0.9252
153 4JT 0.9250
154 4LW 0.9250
155 52C 0.9249
156 BPY 0.9247
157 BCU 0.9246
158 AN3 0.9244
159 6KT 0.9244
160 B1J 0.9242
161 HL4 0.9241
162 ENO 0.9241
163 J5I 0.9241
164 EN1 0.9240
165 L14 0.9240
166 INO 0.9240
167 45L 0.9239
168 ES5 0.9238
169 4FS 0.9238
170 D2G 0.9234
171 NPO 0.9232
172 G14 0.9226
173 3LR 0.9226
174 2QC 0.9226
175 SAF 0.9224
176 717 0.9222
177 4YO 0.9219
178 P72 0.9219
179 363 0.9216
180 HNH 0.9216
181 SE2 0.9213
182 DHR 0.9211
183 O45 0.9209
184 0HN 0.9209
185 4NB 0.9208
186 SQV 0.9207
187 M6H 0.9206
188 4XF 0.9205
189 HHH 0.9205
190 ABI 0.9203
191 MAH 0.9201
192 9R5 0.9199
193 S8V 0.9197
194 TYE 0.9197
195 TYR 0.9194
196 JAE 0.9193
197 DHB 0.9193
198 BPN 0.9192
199 46P 0.9191
200 OKG 0.9190
201 FBB 0.9190
202 F9Y 0.9190
203 4Z3 0.9190
204 KJU 0.9189
205 GO2 0.9188
206 M1Z 0.9188
207 3A9 0.9185
208 NNO 0.9185
209 EYV 0.9185
210 FBJ 0.9184
211 L03 0.9184
212 B40 0.9183
213 1F1 0.9182
214 LQ2 0.9181
215 AEG 0.9181
216 3NY 0.9181
217 AC6 0.9181
218 FUD 0.9180
219 6RQ 0.9180
220 GGL 0.9177
221 P80 0.9173
222 X48 0.9169
223 2HC 0.9165
224 4A3 0.9164
225 826 0.9163
226 MLT 0.9163
227 6NI 0.9163
228 HGA 0.9162
229 HNK 0.9160
230 GT4 0.9158
231 JAW 0.9157
232 ODK 0.9156
233 0VT 0.9156
234 RKV 0.9155
235 AEF 0.9155
236 K2T 0.9154
237 RAT 0.9152
238 FHB 0.9151
239 93K 0.9150
240 A7H 0.9148
241 JF6 0.9147
242 VGD 0.9147
243 A7N 0.9145
244 JRB 0.9145
245 2ZM 0.9144
246 JB8 0.9144
247 PUE 0.9139
248 HFA 0.9138
249 E7S 0.9138
250 DGL 0.9136
251 2IT 0.9136
252 4NC 0.9135
253 49F 0.9134
254 C82 0.9134
255 JA8 0.9133
256 SYV 0.9131
257 8NB 0.9131
258 MUC 0.9131
259 5LA 0.9129
260 X0U 0.9127
261 94W 0.9126
262 TGX 0.9122
263 PNZ 0.9120
264 OAA 0.9119
265 SNO 0.9118
266 K7M 0.9117
267 BZ3 0.9116
268 GZ2 0.9116
269 0HO 0.9115
270 15E 0.9114
271 5WZ 0.9111
272 PBA 0.9110
273 3QV 0.9110
274 80G 0.9110
275 XX2 0.9110
276 OOG 0.9107
277 OHJ 0.9106
278 AL0 0.9106
279 T2D 0.9105
280 4BY 0.9103
281 SHA 0.9101
282 5VL 0.9099
283 FZM 0.9099
284 3VQ 0.9098
285 BZE 0.9097
286 GLY GLY 0.9096
287 11C 0.9096
288 4I8 0.9095
289 PZI 0.9094
290 0JD 0.9093
291 SQ4 0.9092
292 ALE 0.9092
293 4VY 0.9091
294 3HG 0.9091
295 LT2 0.9091
296 JG8 0.9090
297 3QM 0.9089
298 S2P 0.9088
299 KMH 0.9088
300 PGH 0.9086
301 TH7 0.9085
302 2HU 0.9084
303 QMP 0.9083
304 4MA 0.9082
305 N3W 0.9081
306 HPP 0.9080
307 ABV 0.9080
308 P9P 0.9080
309 1Y6 0.9079
310 12T 0.9077
311 MTL 0.9076
312 GOJ 0.9076
313 36E 0.9076
314 5WV 0.9076
315 P7Y 0.9075
316 R2P 0.9075
317 DGN 0.9074
318 AHC 0.9071
319 DPN 0.9070
320 OEG 0.9070
321 5XC 0.9070
322 FUM 0.9069
323 5NI 0.9069
324 CK2 0.9069
325 AX7 0.9069
326 G3P 0.9067
327 SOR 0.9067
328 MYJ 0.9065
329 ANN 0.9064
330 SLS 0.9063
331 JDN 0.9063
332 5OB 0.9063
333 3ZB 0.9060
334 56D 0.9059
335 2AL 0.9058
336 7WG 0.9058
337 P81 0.9058
338 S7S 0.9057
339 3OM 0.9056
340 MEQ 0.9056
341 BZJ 0.9056
342 QUS 0.9056
343 ESI 0.9056
344 LYS 0.9051
345 CHB 0.9050
346 BP7 0.9049
347 HG3 0.9049
348 L13 0.9049
349 258 0.9048
350 650 0.9047
351 SIN 0.9047
352 LMR 0.9044
353 DYA 0.9044
354 E3X 0.9043
355 GZL 0.9041
356 MHO 0.9041
357 I3E 0.9041
358 15N 0.9038
359 XYL 0.9037
360 RB5 0.9037
361 SRT 0.9037
362 AHN 0.9037
363 6ME 0.9037
364 G3H 0.9036
365 JAH 0.9035
366 GP9 0.9034
367 HPS 0.9034
368 SME 0.9034
369 1X4 0.9034
370 36R 0.9033
371 13P 0.9031
372 6SD 0.9030
373 6FB 0.9029
374 CTL 0.9028
375 2A9 0.9028
376 HX2 0.9028
377 M6W 0.9027
378 BVA 0.9027
379 N1E 0.9025
380 IHB 0.9025
381 1XA 0.9025
382 AMH 0.9023
383 1SA 0.9023
384 N4E 0.9022
385 8XL 0.9022
386 LDP 0.9020
387 4HP 0.9020
388 ODO 0.9019
389 UNJ 0.9019
390 86J 0.9017
391 SSB 0.9015
392 4BL 0.9014
393 QBK 0.9011
394 MHN 0.9011
395 AMS 0.9010
396 1WC 0.9010
397 1A7 0.9009
398 GLO 0.9008
399 DIR 0.9008
400 SYM 0.9005
401 KTW 0.9005
402 3OL 0.9004
403 XBT 0.9002
404 I3A 0.9001
405 3PG 0.9001
406 KDG 0.9000
407 PH3 0.8999
408 BEA 0.8999
409 4FA 0.8998
410 9ZE 0.8998
411 CS2 0.8998
412 3ID 0.8994
413 R9Y 0.8993
414 RMN 0.8993
415 CXF 0.8993
416 RNO 0.8992
417 IV2 0.8990
418 7BC 0.8990
419 QSB 0.8989
420 KOJ 0.8987
421 ES7 0.8986
422 CLW 0.8986
423 78Y 0.8984
424 5H6 0.8982
425 F60 0.8981
426 X0V 0.8981
427 KKN 0.8980
428 1BN 0.8976
429 ASC 0.8974
430 SD4 0.8974
431 JLZ 0.8974
432 M5H 0.8973
433 ES2 0.8971
434 F4K 0.8970
435 M5E 0.8970
436 5H1 0.8968
437 IFP 0.8967
438 3YP 0.8965
439 DTY 0.8965
440 CCU 0.8963
441 SW7 0.8963
442 DMD 0.8962
443 174 0.8960
444 RM1 0.8959
445 B62 0.8959
446 GAB 0.8958
447 COI 0.8958
448 2K4 0.8957
449 ZBT 0.8956
450 ONR 0.8955
451 2HO 0.8955
452 9TW 0.8955
453 7C3 0.8954
454 DIN 0.8954
455 EKZ 0.8953
456 0F9 0.8953
457 SAN 0.8952
458 HA5 0.8949
459 FCR 0.8946
460 AAS 0.8946
461 50C 0.8945
462 4HB 0.8945
463 7OD 0.8944
464 8OZ 0.8944
465 3R4 0.8942
466 AX3 0.8940
467 4BF 0.8939
468 LEL 0.8939
469 7ME 0.8939
470 92P 0.8938
471 4RU 0.8937
472 259 0.8937
473 CK1 0.8937
474 PBC 0.8937
475 TAG 0.8935
476 NDH 0.8935
477 270 0.8934
478 E1T 0.8934
479 EVF 0.8933
480 SQ7 0.8933
481 9FE 0.8933
482 C53 0.8933
483 3C4 0.8932
484 AG2 0.8932
485 B85 0.8932
486 2MI 0.8931
487 XM0 0.8931
488 HQT 0.8930
489 S7A 0.8930
490 8GL 0.8930
491 Z82 0.8928
492 PZM 0.8928
493 VM1 0.8927
494 SEP 0.8927
495 ZYR 0.8926
496 MXN 0.8926
497 M3E 0.8926
498 92K 0.8926
499 6AI 0.8925
500 FBF 0.8924
501 TTL 0.8922
502 SWX 0.8921
503 LFC 0.8921
504 DHC 0.8920
505 1HN 0.8920
506 OTW 0.8919
507 7W4 0.8918
508 SMN 0.8918
509 5F5 0.8916
510 4MV 0.8916
511 3HM 0.8916
512 44V 0.8915
513 1GP 0.8915
514 MS9 0.8914
515 4NM 0.8914
516 LR5 0.8913
517 GWM 0.8912
518 SHI 0.8912
519 PEY 0.8912
520 KJH 0.8911
521 Q06 0.8910
522 GJP 0.8906
523 LL1 0.8905
524 LPK 0.8905
525 C2Y 0.8904
526 12Q 0.8902
527 4VP 0.8902
528 FCD 0.8899
529 NAG 0.8898
530 A9P 0.8897
531 RBL 0.8896
532 DQU 0.8896
533 NLE 0.8896
534 4LV 0.8895
535 5QX 0.8895
536 PRA 0.8894
537 3AE 0.8893
538 S0E 0.8892
539 I4B 0.8892
540 P92 0.8892
541 FMQ 0.8892
542 344 0.8889
543 FOC 0.8888
544 KMY 0.8887
545 LTL 0.8887
546 AJV 0.8886
547 QY9 0.8886
548 BZX 0.8884
549 8WO 0.8883
550 XDE 0.8882
551 KUF 0.8880
552 FAN 0.8879
553 SHF 0.8879
554 2FY 0.8879
555 K4V 0.8877
556 FBS 0.8877
557 5XA 0.8876
558 URS 0.8876
559 CXH 0.8876
560 0OC 0.8875
561 3HB 0.8874
562 5JQ 0.8874
563 CCE 0.8874
564 JMG 0.8873
565 DOB 0.8872
566 0W1 0.8872
567 AJY 0.8872
568 A5H 0.8871
569 7UZ 0.8870
570 2FT 0.8869
571 XHP 0.8869
572 Q02 0.8868
573 2D2 0.8868
574 5VM 0.8867
575 4FF 0.8866
576 9RH 0.8865
577 TZL 0.8863
578 S7J 0.8863
579 Z70 0.8862
580 XUL 0.8862
581 ORN 0.8862
582 M6N 0.8861
583 1P8 0.8861
584 53C 0.8861
585 HBA 0.8858
586 A7W 0.8857
587 4M0 0.8857
588 QX4 0.8856
589 LEU 0.8855
590 XCG 0.8854
591 44W 0.8854
592 BEN 0.8854
593 HSM 0.8852
594 30G 0.8852
595 DZA 0.8852
596 DHY 0.8852
597 4SX 0.8852
598 PD2 0.8851
599 E7Z 0.8851
600 TWO 0.8851
601 2HQ 0.8850
602 J9W 0.8849
603 EWG 0.8849
604 SRO 0.8848
605 BHA 0.8846
606 5XB 0.8845
607 2FX 0.8845
608 4FH 0.8844
609 4JM 0.8844
610 LT1 0.8843
611 AC0 0.8843
612 BNS 0.8840
613 QIV 0.8839
614 MET 0.8838
615 GPJ 0.8835
616 PCS 0.8834
617 ZEC 0.8832
618 NCA 0.8832
619 60L 0.8832
620 5HN 0.8832
621 9UL 0.8831
622 0TU 0.8831
623 NTN 0.8830
624 X6W 0.8830
625 7Q1 0.8830
626 3VS 0.8829
627 5NU 0.8829
628 1DV 0.8829
629 DAL DAL 0.8829
630 PSE 0.8827
631 OW7 0.8827
632 5TY 0.8827
633 0FO 0.8825
634 M4E 0.8825
635 MEV 0.8823
636 RD4 0.8823
637 M2K 0.8823
638 H4E 0.8822
639 XQ0 0.8821
640 URC 0.8821
641 FF2 0.8820
642 PMF 0.8820
643 PH2 0.8818
644 VNL 0.8817
645 4NZ 0.8816
646 Z5P 0.8816
647 TB8 0.8816
648 SR1 0.8813
649 11S 0.8813
650 GPF 0.8813
651 36M 0.8810
652 APG 0.8810
653 39O 0.8807
654 IAC 0.8807
655 EA1 0.8805
656 5CU 0.8804
657 OQC 0.8804
658 EXD 0.8804
659 1VK 0.8804
660 TSU 0.8804
661 Q03 0.8802
662 14O 0.8802
663 8CM 0.8801
664 BEZ 0.8801
665 3AB 0.8800
666 27B 0.8799
667 HQD 0.8799
668 5MI 0.8799
669 MR1 0.8799
670 A3M 0.8797
671 SHO 0.8797
672 TSS 0.8795
673 Q24 0.8794
674 BTY 0.8794
675 SDD 0.8793
676 BIK 0.8792
677 0P6 0.8792
678 2FQ 0.8791
679 MSL 0.8791
680 SKM 0.8790
681 M1Q 0.8788
682 M5K 0.8788
683 VKC 0.8785
684 NF3 0.8783
685 6MW 0.8783
686 QWN 0.8782
687 X11 0.8781
688 LLH 0.8779
689 CLZ 0.8778
690 SSC 0.8778
691 F31 0.8777
692 5RN 0.8775
693 FA0 0.8773
694 6QF 0.8773
695 DQY 0.8772
696 VXX 0.8771
697 DHS 0.8771
698 N8Y 0.8770
699 OCH 0.8769
700 MNN 0.8769
701 EQW 0.8769
702 TMG 0.8768
703 4CS 0.8766
704 1DW 0.8766
705 2K8 0.8766
706 23J 0.8766
707 UN1 0.8763
708 FQI 0.8762
709 1DJ 0.8761
710 R8V 0.8759
711 Q04 0.8759
712 GCO 0.8758
713 PEP 0.8758
714 4MU 0.8757
715 9RW 0.8754
716 0N7 0.8753
717 AA 0.8753
718 VC3 0.8752
719 8TX 0.8752
720 5GU 0.8751
721 M4S 0.8750
722 UNU 0.8749
723 4J8 0.8749
724 HHR 0.8748
725 FA1 0.8748
726 XLS 0.8747
727 MUA 0.8746
728 EUE 0.8745
729 AQO 0.8745
730 TZM 0.8744
731 7MW 0.8743
732 E4P 0.8743
733 AES 0.8743
734 GXY 0.8742
735 R67 0.8741
736 PDC 0.8740
737 BAM 0.8739
738 H4N 0.8739
739 5MB 0.8739
740 7QS 0.8739
741 DVQ 0.8738
742 9FH 0.8737
743 PEA 0.8737
744 NM2 0.8737
745 Y3L 0.8735
746 SKA 0.8735
747 4TU 0.8733
748 DAH 0.8732
749 MAJ 0.8731
750 3HP 0.8731
751 ANC 0.8731
752 DAV 0.8730
753 RP3 0.8730
754 ASP 0.8729
755 ICO 0.8728
756 4HC 0.8728
757 MEW 0.8727
758 KT7 0.8727
759 PGA 0.8726
760 4LR 0.8726
761 B55 0.8725
762 NPY 0.8724
763 3S5 0.8720
764 CCD 0.8719
765 NIO 0.8717
766 4NS 0.8716
767 5JL 0.8715
768 PE0 0.8714
769 IT2 0.8714
770 L1T 0.8713
771 7W1 0.8712
772 ARG 0.8712
773 PRZ 0.8711
774 2BX 0.8710
775 2D0 0.8709
776 DRL 0.8709
777 5GT 0.8709
778 H8N 0.8708
779 HHS 0.8706
780 SKF 0.8706
781 CWM 0.8705
782 Z13 0.8704
783 IOS 0.8703
784 4XR 0.8703
785 8WT 0.8701
786 HNM 0.8700
787 6VD 0.8698
788 6PC 0.8697
789 MPK 0.8697
790 MXD 0.8697
791 PZA 0.8697
792 2CK 0.8697
793 2O6 0.8697
794 GF4 0.8696
795 KLS 0.8696
796 CHH 0.8696
797 ONH 0.8696
798 3NT 0.8694
799 QSH 0.8694
800 AZM 0.8694
801 YTX 0.8694
802 DNF 0.8692
803 QXW 0.8692
804 X1S 0.8691
805 4AA 0.8691
806 GTQ 0.8691
807 HMH 0.8687
808 8D6 0.8687
809 RSO 0.8687
810 AVI 0.8687
811 FF3 0.8686
812 ISN 0.8686
813 8NY 0.8684
814 8NX 0.8684
815 ES9 0.8683
816 QUZ 0.8683
817 HJ7 0.8681
818 4NP 0.8680
819 4ME 0.8680
820 BRH 0.8678
821 0FN 0.8678
822 PG3 0.8674
823 GDE 0.8674
824 MD6 0.8674
825 GRQ 0.8673
826 8W9 0.8672
827 DHK 0.8670
828 ANF 0.8670
829 3VX 0.8668
830 GGB 0.8668
831 K82 0.8667
832 5F8 0.8666
833 AZ8 0.8666
834 CWS 0.8666
835 S0D 0.8664
836 HXY 0.8664
837 6M9 0.8663
838 2PV 0.8663
839 NBZ 0.8661
840 3OC 0.8659
841 ES0 0.8658
842 BGC 0.8657
843 V1T 0.8657
844 261 0.8657
845 QBS 0.8656
846 TLA 0.8656
847 XAZ 0.8653
848 GZ3 0.8652
849 TAR 0.8651
850 E0O 0.8650
851 A98 0.8647
852 XI7 0.8646
853 9NB 0.8645
854 YIE 0.8645
855 16D 0.8645
856 JBZ 0.8643
857 0FK 0.8643
858 51R 0.8641
859 OVM 0.8639
860 FK1 0.8639
861 JND 0.8638
862 4JC 0.8637
863 MWP 0.8636
864 GNM 0.8636
865 KYN 0.8635
866 Y4L 0.8633
867 2UZ 0.8633
868 N91 0.8629
869 MRW 0.8629
870 0LO 0.8628
871 OMD 0.8627
872 3VW 0.8627
873 3SL 0.8626
874 ENW 0.8626
875 K80 0.8625
876 AZ9 0.8621
877 IP8 0.8621
878 YCP 0.8620
879 68A 0.8619
880 1P7 0.8617
881 RHU 0.8617
882 INE 0.8616
883 SPA 0.8616
884 PXL 0.8614
885 HX3 0.8614
886 5RO 0.8613
887 UFO 0.8613
888 ROI 0.8612
889 DXP 0.8612
890 AMQ 0.8611
891 4MB 0.8610
892 75K 0.8610
893 14J 0.8610
894 MED 0.8610
895 FDR 0.8607
896 DX3 0.8606
897 SS1 0.8604
898 BGU 0.8600
899 FGZ 0.8600
900 IPB 0.8599
901 8H8 0.8599
902 WCE 0.8594
903 129 0.8592
904 PRF 0.8591
905 PRL 0.8590
906 6HO 0.8588
907 THA 0.8588
908 3Z8 0.8587
909 N0Z 0.8586
910 S60 0.8585
911 42J 0.8582
912 CSN 0.8578
913 5B1 0.8577
914 Q88 0.8577
915 1PT 0.8575
916 OVV 0.8574
917 FB2 0.8574
918 3HA 0.8572
919 4XS 0.8571
920 AT3 0.8569
921 0XT 0.8564
922 AY4 0.8564
923 P9E 0.8561
924 BDP 0.8559
925 7MX 0.8558
926 F05 0.8551
927 EV0 0.8551
928 PC 0.8549
929 8GC 0.8548
930 FQX 0.8543
931 VGL 0.8538
932 UFV 0.8533
933 TZC 0.8531
934 F2W 0.8529
935 PMB 0.8523
936 5TZ 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6QRB; Ligand: JEQ; 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: 6qrb.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6QRB; Ligand: JEQ; 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: 6qrb.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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