Receptor
PDB id Resolution Class Description Source Keywords
6QOR 1.67 Å EC: 2.1.1.228 CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH FRAGMENT 21 (2-AMINN ITROPHENOL) 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
JBK A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
154.123 C6 H6 N2 O3 c1cc(...
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: JBK; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 JBK 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: JBK; Similar ligands found: 1107
No: Ligand Similarity coefficient
1 3HA 1.0000
2 3F0 1.0000
3 DBH 1.0000
4 3M0 1.0000
5 FE DB1 0.9995
6 8GC 0.9815
7 HHA 0.9790
8 SAL 0.9777
9 NOJ 0.9777
10 3AB 0.9761
11 53C 0.9760
12 BE2 0.9755
13 23A 0.9739
14 HJP 0.9735
15 ADZ 0.9720
16 4CS 0.9709
17 GRE 0.9703
18 4SV 0.9702
19 ES6 0.9696
20 GAB 0.9696
21 GLC 0.9696
22 3U4 0.9694
23 JBE 0.9692
24 GYE 0.9685
25 3HB 0.9678
26 32X 0.9675
27 NMJ 0.9675
28 9DG 0.9668
29 5HN 0.9663
30 3IT 0.9661
31 G5V 0.9658
32 6M1 0.9657
33 WCE 0.9654
34 AHR 0.9653
35 4AA 0.9652
36 UNC 0.9651
37 8S0 0.9648
38 Q6T 0.9645
39 3NT 0.9645
40 BGC 0.9644
41 AZA 0.9637
42 GUN 0.9632
43 24W 0.9632
44 AZ8 0.9631
45 IJZ 0.9626
46 XAN 0.9621
47 OVV 0.9618
48 6F0 0.9618
49 3FH 0.9607
50 SVN 0.9605
51 IGA 0.9604
52 JKE 0.9600
53 N5J 0.9596
54 C2U 0.9595
55 5RG 0.9594
56 7NI 0.9593
57 2ZV 0.9592
58 141 0.9592
59 3BZ 0.9591
60 PE0 0.9591
61 1LM 0.9588
62 P3K 0.9584
63 42C 0.9582
64 F81 0.9580
65 25W 0.9580
66 CFP 0.9575
67 6M9 0.9574
68 1NP 0.9573
69 7WV 0.9572
70 DFB 0.9572
71 M6N 0.9566
72 1SQ 0.9565
73 BDP 0.9564
74 AKH 0.9562
75 AZG 0.9559
76 DMD 0.9556
77 O72 0.9556
78 F05 0.9554
79 5IQ 0.9553
80 BZX 0.9553
81 AQO 0.9551
82 5SG 0.9549
83 5M0 0.9549
84 ES1 0.9548
85 G3F 0.9543
86 4YS 0.9542
87 9EW 0.9541
88 YCP 0.9541
89 DHQ 0.9538
90 5Q0 0.9537
91 K5W 0.9537
92 INS 0.9536
93 XYP 0.9535
94 HQY 0.9532
95 BOA 0.9532
96 M5K 0.9530
97 JBQ 0.9529
98 1XM 0.9526
99 GAL 0.9526
100 5H1 0.9524
101 290 0.9523
102 6AI 0.9522
103 HLR 0.9519
104 GTQ 0.9519
105 DIU 0.9512
106 BEN 0.9512
107 FDB 0.9511
108 AJ2 0.9510
109 COU 0.9510
110 F60 0.9507
111 NPY 0.9507
112 M1Q 0.9506
113 H42 0.9506
114 URC 0.9504
115 6M4 0.9504
116 JAE 0.9503
117 2K4 0.9501
118 NBZ 0.9500
119 QUZ 0.9498
120 M1A 0.9497
121 JBH 0.9494
122 NIO 0.9493
123 BEZ 0.9492
124 OXC 0.9491
125 QBK 0.9489
126 5MB 0.9488
127 EQT 0.9486
128 ISE 0.9483
129 NCA 0.9482
130 ORO 0.9481
131 3WA 0.9481
132 6CS 0.9481
133 4XH 0.9480
134 G6D 0.9480
135 6GU 0.9479
136 6PC 0.9478
137 4NC 0.9476
138 KT7 0.9475
139 DX4 0.9473
140 2AQ 0.9471
141 03V 0.9469
142 BAM 0.9468
143 ADE 0.9466
144 3DM 0.9466
145 TTL 0.9466
146 A7W 0.9464
147 PZA 0.9462
148 FOT 0.9460
149 EA1 0.9459
150 HPA 0.9459
151 KKN 0.9459
152 SJ5 0.9457
153 34D 0.9454
154 1XN 0.9454
155 9MG 0.9451
156 3OC 0.9450
157 GCS 0.9449
158 OCH 0.9447
159 DHB 0.9446
160 PYQ 0.9442
161 KYD 0.9442
162 UNU 0.9440
163 QWN 0.9439
164 KJH 0.9438
165 JB5 0.9438
166 5CU 0.9437
167 AZ9 0.9435
168 HH8 0.9435
169 BTE 0.9434
170 ES9 0.9433
171 KJY 0.9433
172 9TZ 0.9433
173 54G 0.9432
174 BRT 0.9430
175 0RW 0.9430
176 1P7 0.9429
177 DOR 0.9426
178 AW5 0.9425
179 MUA 0.9425
180 DIN 0.9424
181 12Q 0.9424
182 JUG 0.9423
183 DOB 0.9423
184 3PF 0.9422
185 INO 0.9419
186 ES5 0.9416
187 F5B 0.9415
188 AZF 0.9412
189 1WG 0.9408
190 10L 0.9405
191 BCP 0.9402
192 XX2 0.9401
193 TEP 0.9400
194 LGC 0.9399
195 39A 0.9398
196 PBC 0.9398
197 5JQ 0.9396
198 SHA 0.9396
199 7W1 0.9395
200 MRW 0.9394
201 0CU 0.9394
202 B55 0.9394
203 NQ 0.9393
204 FA0 0.9392
205 IFM 0.9392
206 VNL 0.9391
207 ES7 0.9390
208 3HM 0.9390
209 2EC 0.9390
210 MZB 0.9390
211 1WD 0.9389
212 BP1 0.9389
213 7HP 0.9388
214 G1O 0.9388
215 5WV 0.9388
216 4A3 0.9387
217 JZ3 0.9387
218 6MP 0.9386
219 LXC 0.9384
220 GCU 0.9383
221 VNJ 0.9382
222 3RK 0.9382
223 NNO 0.9380
224 5MK 0.9378
225 PHB 0.9378
226 2HO 0.9377
227 93K 0.9377
228 8TX 0.9377
229 Q88 0.9377
230 7WA 0.9374
231 1P3 0.9374
232 XHP 0.9373
233 60P 0.9372
234 VK3 0.9372
235 HH5 0.9372
236 7B4 0.9372
237 QXW 0.9370
238 AC0 0.9370
239 I3A 0.9369
240 GIO 0.9369
241 7VS 0.9367
242 1PT 0.9367
243 2CQ 0.9366
244 ES0 0.9366
245 NPO 0.9366
246 SS1 0.9366
247 7HQ 0.9364
248 B57 0.9363
249 M0Q 0.9362
250 5RO 0.9362
251 BE7 0.9361
252 VGL 0.9360
253 ISN 0.9360
254 B62 0.9359
255 FYU 0.9357
256 44W 0.9356
257 M1H 0.9356
258 NDM 0.9355
259 4ME 0.9355
260 4FS 0.9353
261 FBT 0.9353
262 4M0 0.9352
263 XXR 0.9352
264 B53 0.9349
265 DEN 0.9348
266 RXA 0.9347
267 FHB 0.9346
268 SE2 0.9345
269 OXZ 0.9345
270 150 0.9344
271 D48 0.9344
272 LT2 0.9344
273 HLZ 0.9343
274 PXL 0.9343
275 15L 0.9342
276 MYJ 0.9342
277 MWM 0.9342
278 RM1 0.9342
279 9TW 0.9340
280 INE 0.9339
281 R8V 0.9338
282 PYG 0.9337
283 J9T 0.9336
284 PM6 0.9336
285 14O 0.9336
286 7W4 0.9335
287 D1X 0.9334
288 2CK 0.9333
289 PAB 0.9333
290 5NU 0.9332
291 GDE 0.9332
292 5QY 0.9330
293 OTW 0.9328
294 SOE 0.9327
295 GBD 0.9326
296 PQ0 0.9326
297 HMU 0.9326
298 DQU 0.9325
299 HBD 0.9325
300 SX1 0.9324
301 BZI 0.9324
302 4ZE 0.9320
303 2AL 0.9320
304 270 0.9319
305 TH7 0.9319
306 BHA 0.9318
307 OVM 0.9318
308 AX7 0.9317
309 BZF 0.9317
310 FP1 0.9317
311 ET2 0.9316
312 CWM 0.9315
313 2A7 0.9315
314 1LQ 0.9315
315 3SK 0.9313
316 8NY 0.9312
317 NID 0.9311
318 5JL 0.9311
319 A2F 0.9310
320 HQD 0.9309
321 3MB 0.9308
322 1Y6 0.9308
323 RSF 0.9308
324 QPR 0.9307
325 VGD 0.9307
326 51R 0.9305
327 JPZ 0.9304
328 AJV 0.9303
329 24B 0.9303
330 KUF 0.9302
331 XQ0 0.9301
332 SHG 0.9301
333 MAN 0.9300
334 FB1 0.9299
335 0W8 0.9299
336 0R1 0.9297
337 LZ1 0.9296
338 0P6 0.9295
339 TTY 0.9295
340 GMN 0.9294
341 S76 0.9294
342 2H5 0.9294
343 G2F 0.9293
344 P9P 0.9289
345 2ZQ 0.9288
346 MO8 0.9286
347 1DW 0.9285
348 F12 0.9285
349 J5I 0.9283
350 3XX 0.9283
351 NK 0.9282
352 DMJ 0.9282
353 BMA 0.9281
354 DIE 0.9277
355 B60 0.9276
356 FBV 0.9274
357 SKM 0.9273
358 8IG 0.9272
359 V55 0.9272
360 BHO 0.9272
361 5RN 0.9271
362 FBB 0.9270
363 ISZ 0.9269
364 36R 0.9267
365 PRF 0.9267
366 7ZE 0.9266
367 0CT 0.9266
368 DHK 0.9264
369 1P8 0.9262
370 5MI 0.9261
371 HFB 0.9261
372 QSC 0.9260
373 44V 0.9259
374 ASO 0.9259
375 R8A 0.9257
376 J9W 0.9256
377 G3E 0.9256
378 Q24 0.9255
379 45C 0.9255
380 CTL 0.9254
381 4M4 0.9253
382 K2T 0.9252
383 ES2 0.9252
384 6AP 0.9251
385 CLW 0.9250
386 QOS 0.9249
387 A1U 0.9249
388 0TR 0.9249
389 CTS 0.9249
390 12B 0.9248
391 MVN 0.9248
392 MAQ 0.9247
393 OXQ 0.9246
394 4HC 0.9246
395 APZ 0.9245
396 NIZ 0.9245
397 M58 0.9244
398 MEW 0.9244
399 EXO 0.9243
400 HZQ 0.9242
401 LI6 0.9242
402 MZG 0.9242
403 ADK 0.9240
404 IFL 0.9240
405 GOG 0.9238
406 MBD 0.9238
407 6MH 0.9237
408 QSB 0.9236
409 Z82 0.9233
410 GAG 0.9232
411 5XC 0.9232
412 CHB 0.9230
413 0R0 0.9230
414 5AC 0.9230
415 OW4 0.9230
416 3Z8 0.9230
417 OAA 0.9227
418 FBW 0.9227
419 KIB 0.9226
420 KIA 0.9226
421 4MA 0.9226
422 ABV 0.9224
423 5B1 0.9222
424 TM4 0.9222
425 MR1 0.9220
426 67N 0.9219
427 5VM 0.9219
428 2C9 0.9218
429 MQN 0.9217
430 3CE 0.9217
431 JXN 0.9217
432 RAM 0.9217
433 5QX 0.9216
434 RIB 0.9216
435 495 0.9215
436 CFI 0.9215
437 BBF 0.9214
438 3ID 0.9212
439 YH7 0.9211
440 8CM 0.9208
441 BZ3 0.9208
442 PDC 0.9208
443 CN0 0.9207
444 4JT 0.9207
445 5OB 0.9206
446 HIS 0.9206
447 P92 0.9203
448 PFB 0.9203
449 LZM 0.9202
450 826 0.9202
451 37T 0.9199
452 DQN 0.9198
453 IND 0.9198
454 DBJ 0.9197
455 5WY 0.9197
456 2CM 0.9196
457 BCF 0.9195
458 11S 0.9195
459 2MY 0.9194
460 286 0.9193
461 174 0.9193
462 5WX 0.9192
463 3FA 0.9189
464 RIP 0.9188
465 DUB 0.9187
466 209 0.9186
467 BR9 0.9185
468 GLA 0.9185
469 D07 0.9183
470 QX2 0.9183
471 TM7 0.9183
472 M0W 0.9183
473 SRT 0.9182
474 EVA 0.9181
475 IBF 0.9180
476 HT4 0.9179
477 PQK 0.9179
478 MWJ 0.9178
479 FUL 0.9177
480 3MA 0.9176
481 42A 0.9176
482 XYS 0.9176
483 TH0 0.9175
484 L3Q 0.9174
485 QWW 0.9174
486 XQG 0.9173
487 R8S 0.9173
488 F4Z 0.9171
489 FFP 0.9169
490 PZI 0.9169
491 GOO 0.9168
492 TBS 0.9167
493 H4N 0.9167
494 FLM 0.9166
495 CFF 0.9166
496 GTR 0.9163
497 9DA 0.9162
498 TC7 0.9162
499 4P5 0.9162
500 JFD 0.9161
501 FAN 0.9160
502 9HX 0.9160
503 KFH 0.9160
504 JLZ 0.9160
505 5JC 0.9159
506 4JQ 0.9158
507 GZL 0.9158
508 ICO 0.9157
509 GAF 0.9156
510 EYK 0.9155
511 069 0.9155
512 RSO 0.9155
513 4JP 0.9154
514 IT2 0.9154
515 6RQ 0.9153
516 7CZ 0.9153
517 HXX 0.9152
518 LYL 0.9151
519 IHB 0.9151
520 ZZ3 0.9151
521 4YO 0.9148
522 680 0.9147
523 4XR 0.9147
524 HQT 0.9145
525 UEG 0.9145
526 BEA 0.9144
527 QSH 0.9144
528 FGZ 0.9142
529 2FG 0.9142
530 14J 0.9139
531 IDM 0.9138
532 0TU 0.9137
533 3MH 0.9136
534 URF 0.9136
535 F0J 0.9134
536 PCI 0.9134
537 0HO 0.9134
538 NOY 0.9134
539 OVP 0.9133
540 K17 0.9133
541 SW7 0.9131
542 XCZ 0.9131
543 3DO 0.9129
544 A13 0.9128
545 KOJ 0.9126
546 ZVO 0.9124
547 XXP 0.9123
548 2D0 0.9122
549 KJU 0.9122
550 3MG 0.9122
551 261 0.9121
552 5CL 0.9118
553 HMH 0.9115
554 64K 0.9115
555 JA8 0.9114
556 FQI 0.9114
557 EKZ 0.9112
558 3MC 0.9111
559 3NY 0.9110
560 1U6 0.9110
561 LKA 0.9110
562 DBX 0.9108
563 GIV 0.9108
564 TOF 0.9106
565 92K 0.9106
566 3Z7 0.9106
567 CWS 0.9106
568 HY3 0.9105
569 SWD 0.9104
570 F3B 0.9103
571 E7Z 0.9102
572 H33 0.9102
573 HBA 0.9100
574 6NT 0.9099
575 UAN 0.9099
576 MPI 0.9098
577 2ZM 0.9098
578 DRL 0.9097
579 X0V 0.9097
580 XM0 0.9097
581 HBX 0.9094
582 SVD 0.9094
583 2FQ 0.9093
584 MCT 0.9093
585 GCB 0.9093
586 I1N 0.9093
587 ASC 0.9092
588 GVH 0.9090
589 35C 0.9089
590 DNF 0.9088
591 MLT 0.9088
592 282 0.9087
593 7B3 0.9083
594 0JD 0.9083
595 X05 0.9082
596 IP0 0.9081
597 T6C 0.9080
598 HNQ 0.9079
599 GIF 0.9076
600 0HN 0.9075
601 TPA 0.9075
602 BDF 0.9073
603 SYN 0.9072
604 AMC 0.9072
605 NEQ 0.9070
606 94N 0.9069
607 KBB 0.9069
608 FBM 0.9069
609 FPI 0.9069
610 ADA 0.9068
611 AGK 0.9067
612 TDR 0.9066
613 GXL 0.9065
614 IFP 0.9064
615 4Z4 0.9063
616 329 0.9063
617 NDH 0.9063
618 ES4 0.9062
619 SKA 0.9060
620 ARB 0.9058
621 1GN 0.9057
622 DPZ 0.9055
623 J9Q 0.9053
624 86J 0.9052
625 0N7 0.9049
626 2HU 0.9048
627 8XQ 0.9048
628 ABN 0.9047
629 97T 0.9045
630 FB2 0.9045
631 F31 0.9044
632 M1E 0.9044
633 M2K 0.9042
634 5GU 0.9042
635 DGJ 0.9042
636 X6X 0.9042
637 SYV 0.9041
638 SWA 0.9041
639 NTN 0.9040
640 8H8 0.9036
641 82I 0.9034
642 NTZ 0.9033
643 MWP 0.9032
644 2DR 0.9032
645 YSO 0.9031
646 FH2 0.9029
647 DYA 0.9028
648 0FO 0.9028
649 PYF 0.9027
650 SYA 0.9025
651 5UC 0.9024
652 4SX 0.9023
653 XBZ 0.9022
654 LCN 0.9020
655 2AK 0.9018
656 45L 0.9018
657 4VP 0.9016
658 MS9 0.9015
659 RHU 0.9015
660 4FH 0.9014
661 2LY 0.9012
662 9R5 0.9011
663 NBE 0.9010
664 6NI 0.9010
665 FBU 0.9010
666 E5X 0.9010
667 RM4 0.9009
668 Y8I 0.9007
669 4WL 0.9006
670 5NI 0.9005
671 1F1 0.9005
672 ARA 0.9005
673 284 0.9005
674 MT0 0.9003
675 G4D 0.9001
676 RPQ 0.9000
677 4ZC 0.9000
678 SMV 0.8999
679 275 0.8998
680 ICP 0.8998
681 2MI 0.8997
682 PXM 0.8997
683 XYD 0.8995
684 JIF 0.8995
685 717 0.8995
686 5MH 0.8994
687 HQJ 0.8994
688 ZWZ 0.8994
689 ASP 0.8994
690 IPB 0.8993
691 FUC 0.8993
692 F9P 0.8992
693 MBG 0.8992
694 W81 0.8991
695 ODO 0.8991
696 PMB 0.8988
697 JZ1 0.8988
698 MFB 0.8987
699 2YU 0.8986
700 PFL 0.8986
701 4HO 0.8985
702 LSA 0.8985
703 WOO 0.8985
704 2PC 0.8985
705 L99 0.8982
706 23J 0.8981
707 N2I 0.8980
708 KBG 0.8979
709 3A9 0.8979
710 1MC 0.8978
711 MSN 0.8978
712 173 0.8977
713 2AC 0.8976
714 75K 0.8972
715 FDK 0.8972
716 2HQ 0.8971
717 8WT 0.8970
718 URP 0.8969
719 A29 0.8965
720 FK1 0.8965
721 URA 0.8964
722 FUF 0.8964
723 PHH 0.8962
724 O2A 0.8962
725 FCB 0.8961
726 4P0 0.8960
727 HTP 0.8960
728 2MP 0.8959
729 34A 0.8959
730 149 0.8959
731 9KT 0.8958
732 8ZE 0.8958
733 MNM 0.8957
734 N8Y 0.8957
735 FCR 0.8957
736 ZZT 0.8956
737 TIU 0.8954
738 9FL 0.8954
739 QX4 0.8953
740 K6X 0.8951
741 6UA 0.8951
742 PYD 0.8950
743 PBZ 0.8950
744 WBU 0.8949
745 TGX 0.8949
746 JZ9 0.8948
747 K8X 0.8948
748 7VJ 0.8947
749 4ZA 0.8944
750 PD2 0.8944
751 FCA 0.8944
752 0MK 0.8943
753 C21 0.8941
754 4TU 0.8941
755 X09 0.8941
756 PRO 0.8939
757 IV2 0.8938
758 IF7 0.8938
759 UFV 0.8936
760 CRS 0.8935
761 2LP 0.8931
762 TP5 0.8929
763 PCA 0.8929
764 MJ2 0.8929
765 RCO 0.8929
766 43M 0.8928
767 52C 0.8926
768 EV0 0.8925
769 RNS 0.8925
770 5NE 0.8924
771 GXY 0.8924
772 AS3 0.8923
773 Z6J 0.8923
774 EUG 0.8923
775 JU2 0.8923
776 SEJ 0.8923
777 4CL 0.8919
778 Z5P 0.8919
779 M4T 0.8918
780 92P 0.8917
781 CLZ 0.8916
782 BTY 0.8915
783 PHU 0.8914
784 SOR 0.8914
785 PA1 0.8912
786 2KA 0.8912
787 4XV 0.8910
788 CXF 0.8910
789 JG8 0.8909
790 FOA 0.8909
791 JFJ 0.8909
792 KGK 0.8909
793 PYC 0.8908
794 GIM 0.8908
795 RMN 0.8907
796 QIC 0.8907
797 ZXD 0.8905
798 ANN 0.8905
799 4JJ 0.8904
800 15E 0.8904
801 4HM 0.8903
802 OK7 0.8903
803 13X 0.8902
804 MMA 0.8901
805 JBN 0.8900
806 20J 0.8899
807 7WR 0.8898
808 PH2 0.8895
809 HHR 0.8895
810 MZW 0.8895
811 LMR 0.8894
812 Q71 0.8894
813 JZ2 0.8893
814 4JO 0.8892
815 HX3 0.8892
816 GV9 0.8892
817 2FY 0.8891
818 7MH 0.8891
819 265 0.8889
820 BR8 0.8889
821 1XX 0.8889
822 6LW 0.8889
823 BSX 0.8888
824 TBP 0.8886
825 J1Z 0.8886
826 H8N 0.8885
827 K32 0.8883
828 1KP 0.8882
829 PEY 0.8881
830 OA3 0.8881
831 26D 0.8881
832 PAC 0.8877
833 TLD 0.8876
834 MVL 0.8876
835 CYT 0.8875
836 XUL 0.8875
837 6ME 0.8875
838 LDP 0.8875
839 HDH 0.8874
840 F1A 0.8874
841 ALL 0.8873
842 XIY 0.8873
843 JTH 0.8873
844 TMZ 0.8871
845 IUR 0.8869
846 LG5 0.8869
847 BSP 0.8868
848 PNZ 0.8868
849 293 0.8866
850 2BG 0.8866
851 948 0.8866
852 3R6 0.8865
853 BVF 0.8865
854 P72 0.8863
855 D3M 0.8861
856 LG3 0.8857
857 LNR 0.8857
858 94W 0.8857
859 TMT 0.8856
860 4XS 0.8856
861 YIO 0.8855
862 23W 0.8854
863 MFU 0.8854
864 JB8 0.8853
865 2XX 0.8853
866 SAN 0.8853
867 1MR 0.8852
868 LG4 0.8852
869 B5D 0.8852
870 AAS 0.8852
871 3CH 0.8851
872 8G0 0.8850
873 AX2 0.8849
874 PLQ 0.8848
875 1LN 0.8848
876 C2Y 0.8846
877 N3W 0.8846
878 PRZ 0.8846
879 HGQ 0.8846
880 R9Y 0.8845
881 6VD 0.8845
882 BNS 0.8844
883 MHK 0.8843
884 7MU 0.8843
885 HKD 0.8842
886 1AB 0.8841
887 LRH 0.8841
888 HQE 0.8837
889 47J 0.8836
890 7WG 0.8835
891 27Y 0.8834
892 ABE 0.8834
893 GLU 0.8834
894 M2H 0.8832
895 C2A 0.8830
896 3SL 0.8830
897 IPZ 0.8829
898 IDH 0.8829
899 12M 0.8827
900 RB5 0.8826
901 JXW 0.8826
902 Q7A 0.8825
903 GLT 0.8825
904 FLV 0.8823
905 TSU 0.8823
906 8OZ 0.8822
907 FPY 0.8820
908 TAG 0.8819
909 ABI 0.8817
910 XAZ 0.8815
911 FA1 0.8812
912 LDU 0.8810
913 6OT 0.8809
914 WDL 0.8807
915 PCR 0.8807
916 H76 0.8806
917 DEE 0.8805
918 VXX 0.8804
919 F9Y 0.8803
920 DA1 0.8803
921 4MU 0.8801
922 FPN 0.8799
923 AFR 0.8799
924 L7T 0.8798
925 R2B 0.8797
926 K34 0.8795
927 226 0.8795
928 0LH 0.8795
929 JZ5 0.8793
930 AEZ 0.8793
931 ARW 0.8793
932 AIN 0.8793
933 PXY 0.8792
934 HEW 0.8792
935 4XX 0.8792
936 ZB1 0.8791
937 KDV 0.8790
938 0F9 0.8790
939 DFU 0.8790
940 2A9 0.8789
941 5AN 0.8788
942 XYL 0.8787
943 7N0 0.8786
944 3AY 0.8785
945 MAK 0.8784
946 25R 0.8778
947 GLF 0.8778
948 FBS 0.8777
949 SRO 0.8776
950 94B 0.8776
951 TFU 0.8776
952 B3R 0.8775
953 NTM 0.8772
954 4JM 0.8772
955 M3T 0.8770
956 1X7 0.8768
957 8GF 0.8766
958 PAF 0.8766
959 HLD 0.8766
960 OHG 0.8766
961 CIG 0.8763
962 DHR 0.8762
963 2CH 0.8762
964 3AL 0.8761
965 1AN 0.8760
966 2PG 0.8760
967 TYL 0.8759
968 MXN 0.8759
969 3GQ 0.8758
970 9CA 0.8756
971 1IT 0.8755
972 KLW 0.8755
973 UY7 0.8755
974 FP2 0.8754
975 9TY 0.8753
976 OXE 0.8749
977 AY4 0.8746
978 260 0.8746
979 CAQ 0.8745
980 SS2 0.8743
981 4J8 0.8743
982 ASN 0.8742
983 BZ2 0.8741
984 TSS 0.8736
985 N2Z 0.8735
986 2MN 0.8734
987 N8P 0.8733
988 NSP 0.8733
989 4RU 0.8732
990 I6G 0.8732
991 MRZ 0.8731
992 GCV 0.8730
993 9X7 0.8730
994 AEF 0.8730
995 BCU 0.8728
996 1M2 0.8727
997 AC6 0.8726
998 TLA 0.8725
999 TAR 0.8723
1000 259 0.8723
1001 1DU 0.8723
1002 JND 0.8721
1003 DA4 0.8720
1004 GJP 0.8719
1005 EDR 0.8719
1006 4HS 0.8719
1007 N7P 0.8716
1008 6X8 0.8715
1009 BNT 0.8715
1010 15N 0.8715
1011 HIO 0.8714
1012 BML 0.8714
1013 JAW 0.8713
1014 PBR 0.8713
1015 TZC 0.8712
1016 273 0.8711
1017 7D2 0.8711
1018 DS0 0.8705
1019 CRN 0.8705
1020 8LG 0.8705
1021 HTS 0.8704
1022 BEW 0.8701
1023 1AL 0.8700
1024 938 0.8699
1025 NVU 0.8697
1026 XXG 0.8697
1027 ERH 0.8695
1028 5ZE 0.8694
1029 JAB 0.8692
1030 MT5 0.8692
1031 FUB 0.8689
1032 1HN 0.8689
1033 JZ0 0.8689
1034 HA5 0.8687
1035 4CH 0.8686
1036 2AF 0.8686
1037 PBE 0.8685
1038 93Q 0.8685
1039 JYB 0.8682
1040 E1T 0.8679
1041 RAT 0.8678
1042 JZ4 0.8677
1043 ZYR 0.8676
1044 L89 0.8674
1045 OW7 0.8672
1046 L5V 0.8672
1047 06B 0.8672
1048 Q77 0.8672
1049 5WU 0.8671
1050 4JN 0.8666
1051 PHT 0.8662
1052 6KX 0.8661
1053 TCZ 0.8660
1054 18N 0.8660
1055 8WO 0.8660
1056 92Z 0.8657
1057 4NG 0.8655
1058 ITN 0.8655
1059 8K2 0.8653
1060 HHQ 0.8653
1061 5NS 0.8653
1062 95Z 0.8650
1063 7ME 0.8647
1064 ONR 0.8646
1065 2ZX 0.8645
1066 0GZ 0.8642
1067 C9E 0.8641
1068 2TQ 0.8637
1069 4NM 0.8636
1070 DNA 0.8633
1071 JKZ 0.8632
1072 PIY 0.8632
1073 PRY 0.8631
1074 RUU 0.8631
1075 YRL 0.8626
1076 A65 0.8625
1077 QY9 0.8623
1078 BPU 0.8621
1079 ICB 0.8619
1080 DNC 0.8619
1081 JXZ 0.8612
1082 PEP 0.8612
1083 QAT 0.8611
1084 R20 0.8607
1085 39O 0.8602
1086 76X 0.8601
1087 9RW 0.8601
1088 1DQ 0.8598
1089 32O 0.8596
1090 UQ 0.8591
1091 1DV 0.8590
1092 6FZ 0.8590
1093 RD4 0.8580
1094 4H2 0.8579
1095 J6W 0.8578
1096 6BL 0.8572
1097 PKU 0.8570
1098 B2J 0.8566
1099 JDN 0.8559
1100 0W1 0.8559
1101 FDR 0.8558
1102 IOL 0.8557
1103 YAN 0.8554
1104 SMN 0.8551
1105 8HC 0.8541
1106 9FE 0.8540
1107 BPY 0.8536
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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