Receptor
PDB id Resolution Class Description Source Keywords
6QOA 1.93 Å EC: 2.1.1.228 CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH FRAGMENT 5 (ISOXAZOC ARBOXAMIDE) 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
JBN A:301;
B:301;
 Valid;
Valid;
 none;
none;
 submit data
112.087 C4 H4 N2 O2 c1cno...
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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: JBN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 JBN 1 1
2 JAB 0.586207 0.722222
Similar Ligands (3D)
Ligand no: 1; Ligand: JBN; Similar ligands found: 860
No: Ligand Similarity coefficient
1 2PC 1.0000
2 PRO 1.0000
3 FOA 1.0000
4 PYC 1.0000
5 273 0.9998
6 TP5 0.9992
7 TZC 0.9990
8 C21 0.9983
9 265 0.9957
10 DPR 0.9910
11 BEN 0.9899
12 BEZ 0.9897
13 1DU 0.9896
14 NCA 0.9883
15 BAM 0.9881
16 SMV 0.9874
17 NTN 0.9858
18 QSC 0.9850
19 YCP 0.9829
20 PBC 0.9828
21 6PC 0.9827
22 NIO 0.9826
23 MZ0 0.9820
24 VGL 0.9811
25 PZA 0.9811
26 HSM 0.9798
27 NBZ 0.9792
28 PRS 0.9782
29 UNU 0.9759
30 JZ5 0.9759
31 BE7 0.9753
32 SS1 0.9742
33 BNS 0.9739
34 JZ7 0.9727
35 IT2 0.9719
36 TFB 0.9713
37 HYP 0.9710
38 BVG 0.9705
39 J1Z 0.9705
40 AC0 0.9698
41 M58 0.9694
42 MLA 0.9671
43 SYN 0.9669
44 MLI 0.9666
45 SS2 0.9665
46 UY7 0.9664
47 OXQ 0.9654
48 AMC 0.9651
49 5AC 0.9651
50 RSF 0.9643
51 GAG 0.9637
52 UYA 0.9632
53 HZP 0.9626
54 IDM 0.9624
55 282 0.9617
56 NVI 0.9616
57 C5J 0.9613
58 ABN 0.9609
59 IND 0.9606
60 BZF 0.9606
61 3HL 0.9604
62 KIV 0.9602
63 HBX 0.9591
64 PCA 0.9590
65 XBT 0.9588
66 0CT 0.9580
67 4JP 0.9578
68 DMG 0.9571
69 BZI 0.9571
70 LZ1 0.9569
71 HY3 0.9567
72 PY7 0.9565
73 1DQ 0.9562
74 54D 0.9559
75 14J 0.9558
76 GVH 0.9554
77 60P 0.9543
78 DEN 0.9542
79 BVC 0.9536
80 ZBT 0.9530
81 TZL 0.9530
82 CFI 0.9529
83 MPI 0.9527
84 AAE 0.9521
85 2EZ 0.9521
86 M6W 0.9518
87 THE 0.9515
88 FEH 0.9511
89 T2C 0.9511
90 0R1 0.9510
91 IQ0 0.9508
92 9CL 0.9501
93 FBJ 0.9500
94 PYF 0.9499
95 BHO 0.9494
96 JZ9 0.9493
97 GBD 0.9488
98 MLT 0.9486
99 OAA 0.9478
100 NBE 0.9473
101 MRZ 0.9467
102 DTL 0.9467
103 ALO 0.9460
104 HSE 0.9456
105 MAK 0.9449
106 NMJ 0.9445
107 MLM 0.9443
108 8GC 0.9437
109 P2D 0.9435
110 FQI 0.9422
111 APY 0.9421
112 7WG 0.9420
113 1DJ 0.9420
114 3ZQ 0.9418
115 1PT 0.9417
116 HVQ 0.9415
117 3HR 0.9414
118 OK7 0.9411
119 NMG 0.9408
120 HCS 0.9406
121 IVA 0.9403
122 THR 0.9403
123 1MR 0.9402
124 HY1 0.9396
125 UGC 0.9395
126 COI 0.9392
127 6M4 0.9389
128 6M9 0.9387
129 FPI 0.9385
130 RSO 0.9383
131 PYJ 0.9380
132 NPO 0.9375
133 QUZ 0.9372
134 69O 0.9367
135 4CS 0.9364
136 ISZ 0.9361
137 2CK 0.9358
138 VAL 0.9355
139 2KT 0.9355
140 JKE 0.9353
141 TH0 0.9343
142 HLR 0.9336
143 NIZ 0.9334
144 KG7 0.9332
145 9EW 0.9332
146 F05 0.9332
147 JBE 0.9329
148 CAQ 0.9329
149 SIN 0.9328
150 7WV 0.9326
151 HIO 0.9326
152 4SV 0.9323
153 SVN 0.9323
154 0RW 0.9322
155 HX2 0.9322
156 Z82 0.9321
157 SAL 0.9319
158 MZW 0.9318
159 BP9 0.9318
160 OXE 0.9316
161 NPY 0.9315
162 40E 0.9314
163 AC5 0.9314
164 FAN 0.9313
165 MAE 0.9312
166 1WD 0.9311
167 MNN 0.9309
168 PHB 0.9305
169 LDU 0.9300
170 HBD 0.9299
171 OHG 0.9298
172 FBM 0.9295
173 B24 0.9291
174 BE2 0.9288
175 4JU 0.9281
176 FLA 0.9280
177 MWM 0.9278
178 1Y6 0.9276
179 LMR 0.9276
180 LER 0.9274
181 ASP 0.9273
182 MCT 0.9272
183 BZX 0.9270
184 FB2 0.9270
185 ES6 0.9269
186 SPA 0.9264
187 PLQ 0.9262
188 MXN 0.9259
189 6AI 0.9255
190 03W 0.9255
191 DGY 0.9255
192 1MC 0.9254
193 5HN 0.9248
194 BEW 0.9248
195 3U4 0.9247
196 40O 0.9245
197 5H1 0.9243
198 3AB 0.9242
199 271 0.9240
200 23W 0.9239
201 PMB 0.9239
202 280 0.9239
203 2MH 0.9237
204 3BZ 0.9235
205 DAB 0.9233
206 BRT 0.9233
207 3HB 0.9233
208 PEA 0.9233
209 WCE 0.9230
210 3NT 0.9230
211 I1E 0.9230
212 GAB 0.9228
213 HDA 0.9228
214 HRZ 0.9227
215 HIU 0.9227
216 GXE 0.9226
217 R1X 0.9225
218 R2B 0.9225
219 SW7 0.9224
220 5UC 0.9224
221 3PY 0.9223
222 PBZ 0.9219
223 PAB 0.9219
224 174 0.9218
225 5MH 0.9218
226 OVV 0.9217
227 MPD 0.9217
228 WBU 0.9217
229 L3Q 0.9216
230 P72 0.9215
231 RCO 0.9214
232 53C 0.9212
233 IPH 0.9210
234 PKU 0.9210
235 4ZE 0.9210
236 1DV 0.9209
237 826 0.9209
238 4MA 0.9208
239 F9P 0.9208
240 FUM 0.9208
241 51F 0.9208
242 IZC 0.9207
243 HQE 0.9205
244 CP 0.9203
245 TDR 0.9202
246 MBN 0.9201
247 AC6 0.9201
248 DYA 0.9200
249 ITN 0.9200
250 14O 0.9194
251 IMR 0.9194
252 FPN 0.9193
253 S0H 0.9192
254 HAI 0.9191
255 XM0 0.9191
256 SRT 0.9191
257 L89 0.9189
258 A2Q 0.9189
259 HBA 0.9189
260 CXL 0.9189
261 PRI 0.9189
262 CYH 0.9189
263 URF 0.9185
264 4HO 0.9185
265 HSO 0.9183
266 1WG 0.9182
267 3AP 0.9182
268 2K4 0.9182
269 HT4 0.9182
270 F60 0.9181
271 DA1 0.9178
272 AX7 0.9176
273 2CH 0.9173
274 ABU 0.9172
275 5MI 0.9172
276 3CH 0.9172
277 TPA 0.9171
278 ADE 0.9171
279 5MB 0.9170
280 PAE 0.9170
281 ICP 0.9169
282 PYD 0.9169
283 275 0.9168
284 OXL 0.9167
285 AHR 0.9165
286 HUI 0.9164
287 ABV 0.9164
288 SER 0.9164
289 11S 0.9163
290 XBZ 0.9162
291 3SK 0.9162
292 1AB 0.9161
293 GOJ 0.9161
294 3OC 0.9159
295 V1L 0.9158
296 TEO 0.9156
297 LG4 0.9155
298 HVK 0.9155
299 9PO 0.9154
300 2AP 0.9154
301 PCR 0.9153
302 URA 0.9153
303 4AP 0.9152
304 2YU 0.9148
305 EDG 0.9148
306 FK1 0.9148
307 2MI 0.9147
308 DSN 0.9146
309 ABA 0.9143
310 AKB 0.9143
311 8CL 0.9140
312 9YL 0.9136
313 H4N 0.9135
314 WOT 0.9135
315 JZ0 0.9135
316 CYT 0.9135
317 4VP 0.9134
318 KYD 0.9134
319 93B 0.9133
320 LXC 0.9133
321 XYP 0.9131
322 A1U 0.9131
323 0TR 0.9130
324 ILE 0.9129
325 LGA 0.9128
326 270 0.9128
327 P92 0.9127
328 FPY 0.9127
329 ICF 0.9126
330 LG3 0.9125
331 BML 0.9125
332 CEJ 0.9125
333 ES9 0.9124
334 25R 0.9124
335 NK 0.9122
336 LEA 0.9122
337 IP0 0.9121
338 K34 0.9121
339 ASN 0.9121
340 TM7 0.9120
341 2IM 0.9120
342 SAT 0.9119
343 2MP 0.9118
344 HPA 0.9115
345 150 0.9114
346 PBE 0.9114
347 PXY 0.9113
348 PEL 0.9113
349 8LG 0.9113
350 BUA 0.9113
351 DXX 0.9112
352 34A 0.9111
353 MZG 0.9111
354 CRS 0.9111
355 SSN 0.9109
356 284 0.9109
357 GJZ 0.9108
358 HYN 0.9107
359 MSF 0.9106
360 L60 0.9105
361 7CZ 0.9101
362 8NY 0.9101
363 938 0.9101
364 26D 0.9101
365 LG5 0.9100
366 ECE 0.9099
367 TH7 0.9097
368 H95 0.9096
369 GOL 0.9096
370 43M 0.9096
371 RB5 0.9095
372 XYL 0.9095
373 DUC 0.9094
374 QY9 0.9093
375 1AN 0.9092
376 HHN 0.9089
377 HTS 0.9089
378 ES4 0.9088
379 NXA 0.9087
380 TLA 0.9086
381 278 0.9084
382 XYD 0.9083
383 24T 0.9083
384 PHU 0.9082
385 JAE 0.9082
386 2AC 0.9081
387 4CH 0.9081
388 5JC 0.9079
389 PM6 0.9078
390 3ID 0.9076
391 E60 0.9075
392 CYS 0.9073
393 2AF 0.9072
394 93Q 0.9071
395 7N0 0.9069
396 6X8 0.9065
397 2CQ 0.9064
398 RP7 0.9063
399 4JO 0.9062
400 PIH 0.9062
401 92Z 0.9061
402 1DW 0.9059
403 SWD 0.9058
404 VNJ 0.9057
405 R8A 0.9056
406 9X7 0.9054
407 4JL 0.9053
408 KKN 0.9053
409 H3M 0.9051
410 SAR 0.9051
411 BAL 0.9051
412 HPY 0.9050
413 BVF 0.9049
414 1P3 0.9048
415 FP2 0.9046
416 LEU 0.9046
417 SNE 0.9043
418 TZE 0.9042
419 TTO 0.9040
420 YAN 0.9039
421 4XX 0.9039
422 6MP 0.9037
423 76X 0.9036
424 IDH 0.9035
425 4HS 0.9034
426 JZ3 0.9034
427 C2N 0.9033
428 4JJ 0.9033
429 QOS 0.9030
430 PZI 0.9029
431 MWJ 0.9023
432 HMH 0.9021
433 SPV 0.9021
434 4CL 0.9021
435 TAR 0.9018
436 BP1 0.9017
437 IPU 0.9017
438 PAF 0.9017
439 JZ2 0.9014
440 9DA 0.9013
441 GYE 0.9009
442 25T 0.9008
443 BXO 0.9007
444 PAC 0.9007
445 LLQ 0.9006
446 MTG 0.9005
447 XLS 0.9003
448 TB6 0.9003
449 F4Z 0.9001
450 CRN 0.8997
451 IOM 0.8997
452 CEE 0.8996
453 TLD 0.8995
454 PCT 0.8994
455 5MP 0.8993
456 5WV 0.8993
457 FBA 0.8992
458 M4T 0.8992
459 PAH 0.8990
460 CSS 0.8989
461 ETX 0.8987
462 3M0 0.8986
463 SHA 0.8986
464 39J 0.8985
465 OPE 0.8981
466 7VD 0.8981
467 XIX 0.8980
468 ISN 0.8978
469 2DR 0.8978
470 4MZ 0.8976
471 286 0.8975
472 7HP 0.8975
473 TMZ 0.8975
474 HGW 0.8973
475 ES7 0.8973
476 1MZ 0.8972
477 PGA 0.8972
478 OXD 0.8971
479 MZY 0.8971
480 RMN 0.8970
481 9TY 0.8970
482 PEQ 0.8967
483 0V5 0.8967
484 3OH 0.8965
485 JB5 0.8964
486 DCY 0.8964
487 7WA 0.8963
488 PYR 0.8963
489 7W4 0.8962
490 27Y 0.8962
491 1SA 0.8961
492 10L 0.8961
493 FSG 0.8959
494 3DO 0.8957
495 BU4 0.8957
496 9HX 0.8957
497 3F0 0.8955
498 2MZ 0.8954
499 2RH 0.8952
500 XQ0 0.8951
501 YHO 0.8950
502 XRG 0.8950
503 285 0.8950
504 CHT 0.8949
505 8GF 0.8946
506 7EX 0.8946
507 1P7 0.8945
508 5KX 0.8944
509 3TR 0.8944
510 JZ6 0.8943
511 4JN 0.8942
512 XUL 0.8942
513 SHF 0.8941
514 AHB 0.8938
515 HGY 0.8938
516 RIB 0.8937
517 CXF 0.8936
518 PEP 0.8936
519 47J 0.8933
520 5B1 0.8931
521 8K2 0.8930
522 DMD 0.8928
523 XAP 0.8928
524 RHU 0.8926
525 DTU 0.8926
526 4JM 0.8926
527 4XR 0.8925
528 45C 0.8923
529 HHA 0.8923
530 MMZ 0.8923
531 C2A 0.8922
532 2HE 0.8922
533 OXM 0.8920
534 GLY ALA 0.8919
535 6SP 0.8919
536 IOL 0.8919
537 JZ1 0.8918
538 PUT 0.8915
539 03V 0.8913
540 KPL 0.8913
541 BYZ 0.8913
542 MR3 0.8912
543 DCL 0.8912
544 4JT 0.8912
545 GG6 0.8911
546 1CB 0.8907
547 FCN 0.8907
548 PYM 0.8906
549 3HA 0.8905
550 SMN 0.8905
551 XYS 0.8905
552 MRY 0.8904
553 IHG 0.8903
554 173 0.8902
555 KOJ 0.8902
556 COU 0.8901
557 4MV 0.8901
558 0R0 0.8901
559 JBK 0.8900
560 RM1 0.8900
561 51R 0.8899
562 1DH 0.8898
563 GBL 0.8896
564 8OZ 0.8895
565 EQT 0.8894
566 A09 0.8893
567 DBH 0.8893
568 4FS 0.8893
569 ES3 0.8893
570 PPV 0.8892
571 BR9 0.8892
572 MB3 0.8891
573 M3T 0.8890
574 4P5 0.8888
575 3MT 0.8888
576 1SQ 0.8887
577 TC7 0.8886
578 DS0 0.8885
579 HOW 0.8883
580 HMU 0.8883
581 7B4 0.8883
582 FCA 0.8883
583 ICC 0.8882
584 PIS 0.8881
585 RIP 0.8880
586 FUL 0.8880
587 717 0.8880
588 2OP 0.8879
589 IUR 0.8879
590 Y8I 0.8877
591 4H2 0.8876
592 9RW 0.8875
593 BAQ 0.8875
594 DQY 0.8874
595 OCH 0.8874
596 QWN 0.8873
597 2AI 0.8872
598 HGQ 0.8869
599 HH8 0.8868
600 TSU 0.8866
601 MYJ 0.8866
602 2AQ 0.8866
603 R67 0.8864
604 EHM 0.8864
605 4XH 0.8863
606 GUA 0.8863
607 1P8 0.8862
608 TMT 0.8862
609 24B 0.8861
610 DFU 0.8861
611 M1A 0.8861
612 CIZ 0.8861
613 DBB 0.8859
614 A3B 0.8859
615 DAL 0.8858
616 XCZ 0.8857
617 1LN 0.8857
618 FW5 0.8855
619 ODV 0.8855
620 J9T 0.8854
621 1LQ 0.8853
622 ARB 0.8852
623 H42 0.8851
624 PYZ 0.8851
625 FCR 0.8851
626 RUU 0.8849
627 GRO 0.8849
628 HIS 0.8847
629 P9P 0.8846
630 SLP 0.8845
631 36R 0.8845
632 CIG 0.8845
633 JYD 0.8845
634 3HM 0.8844
635 LAC 0.8843
636 H8N 0.8843
637 67N 0.8842
638 NSP 0.8842
639 AAS 0.8840
640 JPZ 0.8839
641 4NC 0.8838
642 MEU 0.8838
643 5Q0 0.8836
644 FB1 0.8835
645 5SG 0.8834
646 ALA 0.8833
647 7MU 0.8833
648 ADZ 0.8833
649 AL0 0.8833
650 PYG 0.8832
651 PE9 0.8832
652 BUB 0.8831
653 FHB 0.8831
654 ATQ 0.8831
655 BTE 0.8830
656 HEW 0.8830
657 AOA 0.8829
658 FBV 0.8826
659 DHB 0.8825
660 5IQ 0.8824
661 2AS 0.8822
662 O72 0.8819
663 QXW 0.8819
664 2HO 0.8819
665 OTR 0.8819
666 B3R 0.8818
667 SJ5 0.8815
668 3SL 0.8815
669 ABE 0.8815
670 FUC 0.8815
671 0MK 0.8812
672 NNO 0.8812
673 4YS 0.8812
674 24W 0.8812
675 INO 0.8811
676 5NU 0.8810
677 ES5 0.8810
678 DAS 0.8807
679 ES1 0.8807
680 URP 0.8807
681 1NP 0.8807
682 JLZ 0.8804
683 2RA 0.8803
684 3MC 0.8803
685 JBH 0.8801
686 MMU 0.8800
687 N5J 0.8799
688 AMT 0.8797
689 C2B 0.8793
690 2HA 0.8791
691 GLL 0.8790
692 DX4 0.8789
693 1LM 0.8789
694 4M0 0.8788
695 CFP 0.8787
696 ES2 0.8786
697 NAK 0.8785
698 AZA 0.8784
699 261 0.8783
700 SC2 0.8782
701 269 0.8781
702 AKG 0.8780
703 64K 0.8779
704 192 0.8777
705 25W 0.8777
706 9TW 0.8777
707 QSB 0.8774
708 HH5 0.8774
709 5CU 0.8773
710 6GU 0.8772
711 MTD 0.8769
712 NIS 0.8768
713 6CS 0.8767
714 93K 0.8767
715 HQY 0.8764
716 G6D 0.8763
717 SAN 0.8763
718 6F0 0.8761
719 Z6J 0.8760
720 6M1 0.8760
721 DOB 0.8759
722 FYU 0.8757
723 FBW 0.8757
724 I4B 0.8755
725 1XX 0.8753
726 MR1 0.8751
727 1AC 0.8750
728 CHB 0.8750
729 FA0 0.8750
730 IHB 0.8749
731 EGD 0.8748
732 MUC 0.8745
733 3FA 0.8744
734 G3P 0.8744
735 7HQ 0.8744
736 BCP 0.8744
737 TAU 0.8742
738 HDH 0.8741
739 LT2 0.8740
740 45L 0.8739
741 XPO 0.8739
742 BUQ 0.8738
743 BHA 0.8736
744 2ZV 0.8735
745 I3A 0.8735
746 POA 0.8735
747 POP 0.8734
748 4ZC 0.8732
749 Q88 0.8731
750 2CO 0.8729
751 3XX 0.8726
752 GTQ 0.8723
753 OXC 0.8721
754 A2F 0.8721
755 ZZT 0.8720
756 9TZ 0.8719
757 54G 0.8719
758 FUB 0.8719
759 23A 0.8719
760 IFM 0.8719
761 GRE 0.8718
762 8H8 0.8718
763 FJO 0.8715
764 ET2 0.8713
765 GUN 0.8713
766 5RG 0.8712
767 2PN 0.8712
768 8X3 0.8710
769 BAE 0.8710
770 ETM 0.8704
771 KSW 0.8703
772 2LP 0.8703
773 1XN 0.8701
774 2D0 0.8701
775 OXZ 0.8699
776 ARA 0.8698
777 FUF 0.8698
778 5M0 0.8698
779 FP1 0.8698
780 JA8 0.8697
781 069 0.8696
782 BMD 0.8695
783 0OC 0.8695
784 3PF 0.8695
785 TIU 0.8694
786 ES0 0.8690
787 LZM 0.8688
788 9X6 0.8686
789 FFP 0.8686
790 CWM 0.8684
791 ALQ 0.8681
792 5VM 0.8680
793 2C9 0.8680
794 98J 0.8679
795 2AL 0.8678
796 XAN 0.8677
797 3SS 0.8675
798 AW5 0.8673
799 3MH 0.8670
800 ORO 0.8670
801 HX3 0.8670
802 DMV 0.8665
803 MBD 0.8664
804 FBS 0.8664
805 3Z7 0.8663
806 CLW 0.8662
807 K2T 0.8661
808 G3E 0.8661
809 BOA 0.8661
810 HHQ 0.8661
811 3GR 0.8660
812 5MK 0.8658
813 2MY 0.8657
814 GLC 0.8654
815 4SD 0.8653
816 JFJ 0.8653
817 4J8 0.8652
818 6AP 0.8648
819 1GP 0.8648
820 42A 0.8646
821 5QY 0.8644
822 FLM 0.8644
823 HV2 0.8642
824 259 0.8640
825 VGD 0.8637
826 FBB 0.8636
827 URQ 0.8634
828 6MH 0.8629
829 0W8 0.8629
830 0CU 0.8625
831 5OB 0.8624
832 F5B 0.8623
833 2CM 0.8622
834 DTI 0.8613
835 13P 0.8612
836 URS 0.8612
837 YTB 0.8611
838 RAM 0.8610
839 RBL 0.8606
840 9DG 0.8604
841 HBS 0.8601
842 290 0.8600
843 ITU 0.8598
844 BZ3 0.8598
845 M2H 0.8595
846 AEF 0.8593
847 XXR 0.8591
848 DFB 0.8583
849 NOJ 0.8582
850 YRL 0.8581
851 HL5 0.8580
852 OVP 0.8579
853 4FA 0.8579
854 T6C 0.8576
855 RBJ 0.8574
856 CMS 0.8573
857 BGC 0.8568
858 BUO 0.8561
859 PPF 0.8557
860 4AX 0.8528
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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