Receptor
PDB id Resolution Class Description Source Keywords
6QOP 1.91 Å EC: 2.1.1.228 CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH FRAGMENT 19 (5- F LUOROQUINAZOLIN-4-OL) 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
JBQ B:301;
A:301;
 Valid;
Valid;
 none;
none;
 submit data
166.152 C8 H7 F N2 O c1cc2...
SO4 B:302;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
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: JBQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 JBQ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: JBQ; Similar ligands found: 870
No: Ligand Similarity coefficient
1 3WA 0.9995
2 ISE 0.9803
3 24W 0.9771
4 O72 0.9765
5 XYP 0.9764
6 1NP 0.9759
7 5Q0 0.9759
8 HQY 0.9756
9 1SQ 0.9756
10 ES1 0.9755
11 1LQ 0.9755
12 5SG 0.9754
13 JPZ 0.9751
14 1LM 0.9748
15 4YS 0.9743
16 JBH 0.9743
17 5IQ 0.9739
18 G3F 0.9736
19 N5J 0.9724
20 32X 0.9721
21 EQT 0.9706
22 12B 0.9705
23 BGC 0.9705
24 LXC 0.9689
25 2ZV 0.9685
26 JUG 0.9684
27 8S0 0.9679
28 HH8 0.9672
29 4XH 0.9665
30 PYQ 0.9650
31 GLC 0.9637
32 G1O 0.9625
33 PXL 0.9619
34 AZ8 0.9618
35 PE0 0.9611
36 GRE 0.9610
37 Q24 0.9602
38 UNC 0.9599
39 NDM 0.9598
40 7NI 0.9594
41 GCS 0.9592
42 HFB 0.9592
43 B60 0.9590
44 TEP 0.9584
45 12Q 0.9584
46 M1Q 0.9577
47 KJH 0.9573
48 1XN 0.9570
49 ISN 0.9564
50 M6N 0.9562
51 AQO 0.9560
52 SWD 0.9560
53 NPY 0.9558
54 6F0 0.9556
55 A7W 0.9554
56 9MG 0.9553
57 KKN 0.9553
58 5QX 0.9550
59 MT0 0.9548
60 M5K 0.9548
61 HQT 0.9548
62 DHQ 0.9547
63 DPZ 0.9547
64 25W 0.9545
65 4HC 0.9543
66 MEW 0.9541
67 FOT 0.9536
68 495 0.9534
69 QUZ 0.9533
70 MAQ 0.9533
71 ADZ 0.9531
72 HZQ 0.9531
73 JBK 0.9529
74 G5V 0.9528
75 HLZ 0.9528
76 R8V 0.9525
77 Q6T 0.9524
78 SVN 0.9523
79 IJZ 0.9521
80 5WX 0.9520
81 BDP 0.9520
82 7W1 0.9516
83 7W4 0.9515
84 3HA 0.9514
85 0P6 0.9512
86 INS 0.9511
87 5WV 0.9506
88 3F0 0.9506
89 AJ2 0.9505
90 J9W 0.9504
91 5RG 0.9502
92 8CM 0.9496
93 ES7 0.9495
94 NTZ 0.9495
95 G6D 0.9495
96 AZA 0.9494
97 EA1 0.9494
98 3M0 0.9494
99 ZVO 0.9494
100 BTE 0.9491
101 7B4 0.9491
102 5WY 0.9491
103 DBH 0.9490
104 TTL 0.9485
105 AKH 0.9480
106 CWS 0.9477
107 DIN 0.9476
108 CFF 0.9470
109 6M1 0.9468
110 FDB 0.9468
111 PCI 0.9466
112 3IT 0.9466
113 B57 0.9465
114 M1A 0.9461
115 42C 0.9460
116 HJP 0.9460
117 9DG 0.9459
118 AZ9 0.9459
119 6MP 0.9459
120 BCF 0.9458
121 SWA 0.9457
122 XYS 0.9456
123 DRL 0.9452
124 IGA 0.9451
125 KUF 0.9448
126 SAL 0.9447
127 BP1 0.9444
128 CLZ 0.9442
129 HPA 0.9439
130 KT7 0.9436
131 LGC 0.9434
132 BBF 0.9434
133 DQN 0.9434
134 7ZE 0.9434
135 MRW 0.9433
136 ADE 0.9429
137 GUN 0.9426
138 CFP 0.9426
139 ADK 0.9423
140 9EW 0.9421
141 EXO 0.9420
142 67N 0.9416
143 GAL 0.9412
144 PFB 0.9412
145 RXA 0.9412
146 23A 0.9411
147 10L 0.9411
148 NQ 0.9409
149 92K 0.9406
150 37T 0.9403
151 9DA 0.9399
152 F05 0.9394
153 AHR 0.9394
154 5M0 0.9393
155 XAN 0.9393
156 AJV 0.9392
157 M0Q 0.9391
158 7VS 0.9390
159 F5B 0.9389
160 TOF 0.9388
161 290 0.9388
162 PXM 0.9388
163 M0W 0.9387
164 9KT 0.9387
165 HLR 0.9387
166 GCU 0.9386
167 APZ 0.9385
168 A2F 0.9385
169 9HX 0.9384
170 GOG 0.9383
171 Q88 0.9382
172 7HQ 0.9381
173 3RK 0.9381
174 6CS 0.9380
175 MO8 0.9375
176 SKA 0.9375
177 XXR 0.9375
178 141 0.9374
179 4AA 0.9373
180 SHG 0.9372
181 39A 0.9370
182 7HP 0.9369
183 C2U 0.9365
184 HQD 0.9363
185 GTQ 0.9362
186 IBF 0.9359
187 VK3 0.9359
188 COU 0.9358
189 URC 0.9352
190 7VJ 0.9350
191 M1H 0.9349
192 1WD 0.9349
193 F3B 0.9349
194 2CK 0.9347
195 6M9 0.9345
196 0W8 0.9343
197 ARB 0.9342
198 NOJ 0.9341
199 6M4 0.9340
200 PM6 0.9340
201 6AP 0.9339
202 HNQ 0.9338
203 I3A 0.9337
204 2D0 0.9330
205 2AQ 0.9330
206 CWM 0.9325
207 6GU 0.9325
208 0N7 0.9324
209 INE 0.9323
210 JBE 0.9322
211 KJY 0.9321
212 BE2 0.9320
213 0RW 0.9317
214 226 0.9316
215 DX4 0.9316
216 MUA 0.9316
217 SOE 0.9316
218 GIO 0.9314
219 FLV 0.9312
220 DBJ 0.9308
221 OA3 0.9307
222 4SV 0.9306
223 4MU 0.9303
224 3Z8 0.9300
225 1PT 0.9297
226 LKA 0.9295
227 FE DB1 0.9293
228 BHO 0.9292
229 RPQ 0.9292
230 7WA 0.9291
231 XQ0 0.9290
232 7WV 0.9290
233 AZG 0.9287
234 JKE 0.9286
235 BOA 0.9285
236 HHA 0.9285
237 5MK 0.9282
238 3U4 0.9280
239 LSA 0.9280
240 7B3 0.9276
241 PRF 0.9274
242 3MG 0.9274
243 LI6 0.9270
244 ES6 0.9267
245 XHP 0.9262
246 3PF 0.9262
247 ASO 0.9261
248 82I 0.9260
249 FBT 0.9258
250 680 0.9257
251 8XQ 0.9255
252 AEZ 0.9254
253 JB5 0.9251
254 SYV 0.9247
255 DIU 0.9246
256 2EC 0.9246
257 44W 0.9244
258 06B 0.9244
259 ES0 0.9242
260 BEA 0.9242
261 2H5 0.9240
262 B62 0.9239
263 PHH 0.9236
264 B55 0.9236
265 03V 0.9234
266 0FO 0.9232
267 UEG 0.9229
268 HH5 0.9228
269 3ID 0.9228
270 0MK 0.9226
271 YH7 0.9225
272 PQ0 0.9225
273 1WG 0.9225
274 1XM 0.9224
275 QBK 0.9223
276 G3E 0.9223
277 G2F 0.9223
278 OTW 0.9222
279 MVL 0.9219
280 86J 0.9216
281 PHT 0.9214
282 GIM 0.9213
283 TBS 0.9211
284 5NU 0.9208
285 6AI 0.9207
286 EJZ 0.9205
287 ES4 0.9204
288 BCP 0.9203
289 DQU 0.9201
290 HTP 0.9201
291 2ZQ 0.9200
292 CTS 0.9200
293 FUL 0.9200
294 K17 0.9199
295 BZX 0.9199
296 75K 0.9196
297 YSO 0.9196
298 QX4 0.9193
299 I1N 0.9193
300 0CU 0.9192
301 DEN 0.9191
302 ES5 0.9190
303 IFL 0.9189
304 2AK 0.9188
305 8TX 0.9186
306 DMD 0.9185
307 EVA 0.9183
308 4FS 0.9182
309 OCH 0.9182
310 1P7 0.9182
311 3MA 0.9179
312 BTY 0.9179
313 14O 0.9176
314 5QY 0.9175
315 5CU 0.9173
316 SE2 0.9172
317 M1E 0.9168
318 2HQ 0.9165
319 H33 0.9164
320 MVN 0.9163
321 P3K 0.9161
322 KLW 0.9159
323 8IG 0.9158
324 XAZ 0.9157
325 7ME 0.9156
326 D07 0.9155
327 CTL 0.9154
328 JXN 0.9151
329 IND 0.9150
330 IV2 0.9147
331 D48 0.9146
332 NOY 0.9146
333 GCB 0.9145
334 18N 0.9144
335 QPR 0.9143
336 FA0 0.9142
337 NTM 0.9140
338 ABV 0.9136
339 E7Z 0.9135
340 6ME 0.9133
341 5H1 0.9129
342 KFH 0.9129
343 5MB 0.9129
344 BZI 0.9128
345 173 0.9127
346 RAM 0.9127
347 5RO 0.9126
348 4JP 0.9126
349 64K 0.9124
350 0CT 0.9124
351 5MI 0.9121
352 DOB 0.9121
353 BZF 0.9121
354 BMA 0.9119
355 0TR 0.9118
356 H42 0.9116
357 KYD 0.9115
358 NDH 0.9114
359 3FH 0.9114
360 4ME 0.9113
361 M2K 0.9113
362 VNJ 0.9112
363 AX7 0.9111
364 BHA 0.9111
365 5B1 0.9110
366 VNL 0.9110
367 5OB 0.9109
368 XM0 0.9109
369 PA1 0.9108
370 5RN 0.9107
371 LT2 0.9105
372 XQG 0.9104
373 54G 0.9102
374 0R1 0.9097
375 KBG 0.9097
376 J5I 0.9096
377 5JQ 0.9095
378 K5W 0.9094
379 4M0 0.9094
380 GVH 0.9092
381 WOO 0.9092
382 FUC 0.9091
383 NK 0.9090
384 270 0.9090
385 MPI 0.9088
386 150 0.9085
387 IDM 0.9084
388 44V 0.9081
389 LZ1 0.9077
390 TTY 0.9073
391 42A 0.9067
392 IFM 0.9066
393 2CQ 0.9065
394 GOO 0.9061
395 4Z4 0.9060
396 ORO 0.9058
397 5JL 0.9058
398 BSP 0.9054
399 GBD 0.9054
400 QWN 0.9053
401 PYG 0.9053
402 X05 0.9052
403 LZM 0.9052
404 ES9 0.9052
405 209 0.9046
406 SXS 0.9046
407 L3Q 0.9044
408 6VD 0.9041
409 NID 0.9041
410 Q7A 0.9041
411 23J 0.9040
412 P92 0.9039
413 OXC 0.9037
414 UAN 0.9034
415 7CZ 0.9034
416 2C9 0.9034
417 JU2 0.9033
418 QX2 0.9032
419 JAE 0.9031
420 FLM 0.9031
421 EYK 0.9030
422 X8D 0.9029
423 RIP 0.9025
424 ALL 0.9024
425 GM7 0.9021
426 MBD 0.9020
427 11S 0.9019
428 GJS 0.9019
429 QWW 0.9017
430 3MC 0.9017
431 DIE 0.9016
432 GLA 0.9016
433 2FQ 0.9016
434 DBX 0.9014
435 ASC 0.9013
436 5CL 0.9013
437 KIB 0.9013
438 JIF 0.9013
439 GMN 0.9013
440 SX1 0.9013
441 TH7 0.9012
442 JZ3 0.9011
443 SOR 0.9011
444 GTR 0.9010
445 1KP 0.9010
446 OXQ 0.9007
447 DFB 0.9007
448 2MI 0.9003
449 SJ5 0.9003
450 FFP 0.9002
451 H4N 0.9002
452 DHK 0.9001
453 LCN 0.9000
454 F60 0.8999
455 MT5 0.8998
456 ARA 0.8998
457 B53 0.8996
458 GCW 0.8994
459 329 0.8993
460 2CM 0.8992
461 2K4 0.8991
462 4NC 0.8991
463 MAN 0.8991
464 9TZ 0.8989
465 MWP 0.8989
466 FYU 0.8989
467 4CS 0.8984
468 1U6 0.8983
469 GZ8 0.8980
470 SYA 0.8980
471 3XX 0.8979
472 Z5P 0.8979
473 39O 0.8978
474 MQN 0.8977
475 QXW 0.8975
476 GAG 0.8974
477 2KA 0.8973
478 GYE 0.8972
479 4JQ 0.8972
480 0FN 0.8971
481 L7T 0.8970
482 3CE 0.8969
483 CN0 0.8969
484 HMH 0.8967
485 YCP 0.8965
486 PEY 0.8965
487 NCA 0.8962
488 SKM 0.8961
489 FBG 0.8960
490 3SK 0.8960
491 GDE 0.8959
492 60P 0.8958
493 45C 0.8957
494 7MH 0.8957
495 ZWZ 0.8957
496 BEZ 0.8955
497 3FA 0.8954
498 34D 0.8953
499 RSF 0.8951
500 FBV 0.8949
501 OXZ 0.8949
502 AFR 0.8947
503 JZ9 0.8947
504 2FG 0.8946
505 PX7 0.8945
506 KGK 0.8943
507 N8Y 0.8941
508 1P8 0.8940
509 36R 0.8940
510 NMJ 0.8940
511 SRO 0.8938
512 BEN 0.8936
513 6MH 0.8935
514 149 0.8935
515 UQ 0.8934
516 HXX 0.8934
517 BAM 0.8934
518 X09 0.8933
519 3Z7 0.8932
520 2MY 0.8931
521 BZ3 0.8931
522 PDC 0.8931
523 3DO 0.8931
524 URF 0.8929
525 VGD 0.8929
526 GCV 0.8928
527 DUB 0.8926
528 R9Y 0.8926
529 ES2 0.8924
530 6PC 0.8924
531 3NT 0.8923
532 DHB 0.8922
533 AW5 0.8921
534 1DW 0.8921
535 QAS 0.8920
536 JXW 0.8920
537 HMU 0.8919
538 FCA 0.8917
539 MZB 0.8916
540 K8X 0.8915
541 DOR 0.8915
542 GIV 0.8914
543 DMJ 0.8912
544 K6X 0.8912
545 8NY 0.8912
546 MT8 0.8911
547 SHA 0.8909
548 4YO 0.8908
549 YQA 0.8903
550 GOX 0.8902
551 3AB 0.8897
552 NBZ 0.8896
553 8H8 0.8896
554 F4Z 0.8895
555 8OZ 0.8895
556 3HB 0.8894
557 TDR 0.8893
558 0TU 0.8893
559 AZF 0.8891
560 3MH 0.8890
561 QAT 0.8890
562 5HN 0.8889
563 ZB1 0.8889
564 BNT 0.8888
565 OVV 0.8887
566 YTB 0.8886
567 8GC 0.8886
568 XX2 0.8884
569 GAB 0.8884
570 8ZE 0.8884
571 MCT 0.8883
572 X6X 0.8880
573 FBB 0.8880
574 MS9 0.8880
575 8W9 0.8879
576 I6G 0.8877
577 WBU 0.8875
578 F81 0.8873
579 RMN 0.8873
580 D3M 0.8872
581 J9Q 0.8872
582 TM4 0.8872
583 ICO 0.8871
584 35C 0.8871
585 MYJ 0.8870
586 97T 0.8869
587 GAF 0.8867
588 NNO 0.8866
589 JA8 0.8866
590 3DM 0.8866
591 4JT 0.8866
592 KJU 0.8865
593 FK1 0.8865
594 INO 0.8865
595 F0J 0.8865
596 RNS 0.8864
597 GT0 0.8862
598 S76 0.8862
599 GLF 0.8861
600 NIO 0.8860
601 9FL 0.8858
602 MBG 0.8858
603 0JD 0.8857
604 948 0.8856
605 24B 0.8855
606 D1X 0.8855
607 4ZE 0.8855
608 8WT 0.8854
609 MWM 0.8853
610 4AN 0.8851
611 WCE 0.8850
612 1GN 0.8849
613 94B 0.8849
614 MFU 0.8848
615 TC7 0.8847
616 AJY 0.8846
617 3BZ 0.8846
618 15E 0.8846
619 ET2 0.8845
620 QOS 0.8844
621 RM4 0.8843
622 P9P 0.8842
623 GTZ 0.8841
624 MNM 0.8840
625 0R0 0.8839
626 CLW 0.8839
627 FHB 0.8837
628 2LY 0.8837
629 FUF 0.8837
630 1MC 0.8836
631 K22 0.8836
632 GXL 0.8833
633 FCB 0.8833
634 XBZ 0.8833
635 3HM 0.8831
636 GLT 0.8831
637 5NE 0.8830
638 PZA 0.8830
639 ZYR 0.8830
640 2AC 0.8830
641 K2T 0.8829
642 JFD 0.8829
643 4HO 0.8829
644 2MP 0.8828
645 275 0.8828
646 UNU 0.8826
647 1X7 0.8825
648 4A3 0.8824
649 A1U 0.8823
650 34A 0.8823
651 Q71 0.8822
652 FB1 0.8821
653 T6C 0.8821
654 93K 0.8821
655 ICP 0.8818
656 PYD 0.8818
657 HKD 0.8814
658 6RQ 0.8813
659 LDR 0.8813
660 MR1 0.8813
661 286 0.8811
662 VGL 0.8811
663 5UC 0.8810
664 DX3 0.8810
665 ADA 0.8810
666 NPO 0.8808
667 AIN 0.8807
668 43M 0.8807
669 ZZT 0.8806
670 KIA 0.8805
671 PBR 0.8805
672 K32 0.8805
673 MFB 0.8805
674 PAF 0.8805
675 TH0 0.8804
676 FDR 0.8804
677 2A7 0.8802
678 20J 0.8801
679 XYD 0.8800
680 2HO 0.8798
681 260 0.8796
682 EKZ 0.8796
683 JLZ 0.8796
684 MHK 0.8795
685 F12 0.8794
686 FDK 0.8793
687 B5D 0.8793
688 O2A 0.8792
689 RM1 0.8790
690 9AP 0.8789
691 GXY 0.8789
692 9TW 0.8785
693 BPU 0.8783
694 NTN 0.8782
695 94N 0.8782
696 Q77 0.8780
697 5VM 0.8777
698 FGZ 0.8776
699 NVU 0.8776
700 HHR 0.8774
701 QSB 0.8774
702 2YU 0.8774
703 JND 0.8774
704 TIY 0.8772
705 TM7 0.8770
706 9PY 0.8770
707 53C 0.8770
708 M58 0.8769
709 CHB 0.8769
710 UFO 0.8768
711 3MB 0.8768
712 BRT 0.8768
713 QSH 0.8767
714 5GU 0.8767
715 SRT 0.8766
716 PRZ 0.8765
717 V55 0.8764
718 NSP 0.8764
719 ROI 0.8763
720 DNF 0.8763
721 6BL 0.8763
722 TAR 0.8763
723 C2Y 0.8762
724 3GQ 0.8761
725 TLA 0.8761
726 G12 0.8761
727 PHB 0.8759
728 ZZ8 0.8759
729 7WR 0.8759
730 PH2 0.8756
731 4TU 0.8754
732 RB5 0.8754
733 HT4 0.8754
734 XIY 0.8753
735 BK9 0.8751
736 JKZ 0.8749
737 4CL 0.8747
738 4M4 0.8746
739 4JO 0.8745
740 DEE 0.8744
741 2MN 0.8744
742 1IT 0.8742
743 9CA 0.8742
744 MSN 0.8740
745 R8A 0.8739
746 2AL 0.8739
747 5MH 0.8737
748 5NS 0.8737
749 DFU 0.8735
750 4JJ 0.8735
751 KOJ 0.8734
752 F1A 0.8728
753 PZI 0.8728
754 28N 0.8728
755 SF9 0.8727
756 MZG 0.8727
757 FH2 0.8727
758 JZ2 0.8723
759 GSY 0.8721
760 6KX 0.8720
761 IPB 0.8718
762 QSC 0.8715
763 0XT 0.8715
764 RHU 0.8714
765 5WU 0.8714
766 CFI 0.8714
767 A13 0.8709
768 3NY 0.8708
769 8WO 0.8707
770 PBC 0.8705
771 ODO 0.8702
772 M5N 0.8701
773 CGB 0.8701
774 J1Z 0.8700
775 BR8 0.8698
776 6NT 0.8698
777 AC0 0.8698
778 8GK 0.8694
779 6LW 0.8694
780 7D2 0.8691
781 MMA 0.8690
782 2BG 0.8689
783 2ZM 0.8689
784 1M2 0.8689
785 27Y 0.8689
786 PBA 0.8688
787 NK2 0.8687
788 E3D 0.8679
789 HBD 0.8679
790 0HO 0.8678
791 IHB 0.8678
792 5JC 0.8678
793 KBB 0.8678
794 6HQ 0.8675
795 BR9 0.8673
796 MWJ 0.8671
797 BDF 0.8671
798 261 0.8670
799 PAB 0.8666
800 JG8 0.8665
801 FP1 0.8665
802 KPL 0.8665
803 JYB 0.8664
804 1Y6 0.8663
805 OXE 0.8660
806 JTH 0.8659
807 DGJ 0.8655
808 TBP 0.8651
809 0HN 0.8647
810 3C2 0.8647
811 826 0.8646
812 J9T 0.8644
813 CAQ 0.8642
814 4ZC 0.8641
815 2HU 0.8640
816 4KL 0.8639
817 FAN 0.8637
818 DNC 0.8636
819 Z82 0.8633
820 IFP 0.8630
821 IUR 0.8629
822 TLD 0.8628
823 N2I 0.8628
824 P72 0.8624
825 ISZ 0.8622
826 4MA 0.8619
827 F9Y 0.8618
828 0F9 0.8618
829 5NI 0.8616
830 PBZ 0.8615
831 6UA 0.8613
832 VOH 0.8612
833 92P 0.8611
834 4P5 0.8611
835 13X 0.8607
836 ABI 0.8604
837 DNA 0.8601
838 BCU 0.8600
839 TIU 0.8600
840 RIB 0.8595
841 5AN 0.8595
842 2A9 0.8593
843 2CH 0.8586
844 2AF 0.8585
845 HIO 0.8585
846 3R6 0.8584
847 AX2 0.8582
848 51R 0.8579
849 Y8I 0.8577
850 95Z 0.8575
851 LZ2 0.8573
852 L89 0.8571
853 JZ0 0.8570
854 92Z 0.8567
855 1HN 0.8566
856 8LG 0.8561
857 IP0 0.8559
858 9LI 0.8551
859 174 0.8547
860 6NI 0.8546
861 KDV 0.8544
862 1AN 0.8543
863 4RU 0.8541
864 3A9 0.8540
865 BEW 0.8535
866 WDL 0.8534
867 FP2 0.8533
868 MAK 0.8532
869 SVD 0.8522
870 HX3 0.8517
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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