Receptor
PDB id Resolution Class Description Source Keywords
6QOW 1.53 Å EC: 2.1.1.228 CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH FRAGMENT 26 (6- M ETHOXYBENZOTHIAZOLE-2-CARBOXYLIC ACID) 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
JBZ B:302;
A:301;
 Valid;
Valid;
 none;
none;
 submit data
209.222 C9 H7 N O3 S COc1c...
SO4 B:301;
 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: JBZ; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 JBZ 1 1
2 94W 0.490566 0.642857
3 0NJ 0.421875 0.642857
Similar Ligands (3D)
Ligand no: 1; Ligand: JBZ; Similar ligands found: 518
No: Ligand Similarity coefficient
1 HNT 0.9696
2 4BL 0.9685
3 VC3 0.9596
4 4BY 0.9588
5 Y3L 0.9582
6 3ZB 0.9559
7 NDD 0.9559
8 UNJ 0.9559
9 9R5 0.9553
10 JA5 0.9549
11 EZL 0.9527
12 LR8 0.9510
13 HC4 0.9499
14 QIV 0.9492
15 5LA 0.9492
16 AJG 0.9474
17 6KT 0.9469
18 E3X 0.9463
19 J1K 0.9462
20 3VS 0.9454
21 J6W 0.9448
22 5TY 0.9445
23 ZEC 0.9413
24 N91 0.9410
25 2QC 0.9409
26 3R4 0.9401
27 2K8 0.9395
28 428 0.9391
29 XCG 0.9388
30 JCZ 0.9380
31 AJ1 0.9367
32 CPZ 0.9350
33 4HB 0.9350
34 549 0.9344
35 AES 0.9342
36 P81 0.9334
37 A7H 0.9329
38 N4E 0.9326
39 TYR 0.9324
40 3VQ 0.9323
41 GVY 0.9322
42 363 0.9321
43 6SD 0.9313
44 68A 0.9309
45 B1J 0.9304
46 7FU 0.9303
47 K3D 0.9302
48 1FE 0.9302
49 CFA 0.9302
50 HHS 0.9295
51 2PK 0.9293
52 OQC 0.9283
53 5TT 0.9282
54 F4K 0.9279
55 8NB 0.9277
56 LO1 0.9272
57 SNO 0.9271
58 4I8 0.9259
59 X0U 0.9256
60 HRM 0.9255
61 80G 0.9253
62 PRL 0.9247
63 6P3 0.9244
64 36Y 0.9239
65 TMG 0.9237
66 9NB 0.9232
67 2PV 0.9228
68 P80 0.9228
69 BGU 0.9215
70 LL1 0.9206
71 ESX 0.9200
72 ZSP 0.9198
73 7MW 0.9192
74 6FB 0.9190
75 S0D 0.9181
76 K7H 0.9181
77 EUE 0.9179
78 AN3 0.9179
79 E7S 0.9179
80 0UL 0.9175
81 N0Z 0.9167
82 S0W 0.9165
83 M4N 0.9162
84 KLE 0.9156
85 TID 0.9153
86 5OO 0.9153
87 GO2 0.9151
88 II4 0.9151
89 5TZ 0.9151
90 SWX 0.9145
91 PH2 0.9142
92 BZ2 0.9141
93 YE7 0.9139
94 ENO 0.9132
95 F40 0.9132
96 HPP 0.9131
97 0JD 0.9128
98 D3G 0.9128
99 DHC 0.9127
100 3VX 0.9127
101 TCR 0.9126
102 1A5 0.9124
103 H4B 0.9123
104 G14 0.9123
105 4FE 0.9122
106 EWG 0.9121
107 I3E 0.9120
108 P9E 0.9117
109 4UM 0.9115
110 ESP 0.9115
111 1EB 0.9114
112 ALE 0.9107
113 MQN 0.9107
114 5F8 0.9106
115 AMR 0.9106
116 27B 0.9105
117 MSR 0.9097
118 IQ5 0.9095
119 4NP 0.9093
120 ODK 0.9084
121 2GQ 0.9078
122 ICB 0.9077
123 PQS 0.9077
124 ZZA 0.9072
125 HHR 0.9068
126 27K 0.9068
127 RNO 0.9066
128 4MB 0.9066
129 5GV 0.9064
130 KLS 0.9061
131 QBP 0.9061
132 LQ2 0.9060
133 8D6 0.9059
134 2FX 0.9058
135 9UL 0.9058
136 ITE 0.9053
137 BIK 0.9052
138 6C8 0.9047
139 OLU 0.9046
140 2J1 0.9046
141 492 0.9044
142 GNM 0.9044
143 PLP 0.9043
144 M78 0.9040
145 KMY 0.9038
146 0TU 0.9036
147 F02 0.9034
148 PQM 0.9034
149 8NX 0.9029
150 A7N 0.9024
151 RYV 0.9022
152 5E5 0.9020
153 TYL 0.9019
154 4CF 0.9018
155 NY4 0.9016
156 3W8 0.9015
157 JAH 0.9015
158 FZM 0.9012
159 I2E 0.9011
160 ESI 0.9008
161 8ZE 0.9008
162 GZ2 0.9006
163 IOP 0.9005
164 K4V 0.9005
165 EE8 0.9004
166 GJP 0.9004
167 4JE 0.9003
168 CX6 0.9003
169 ST3 0.9002
170 KTW 0.9002
171 FBB 0.9000
172 WA1 0.8999
173 EVF 0.8999
174 PPY 0.8998
175 4NB 0.8996
176 A5H 0.8996
177 8XL 0.8994
178 7O4 0.8994
179 RVE 0.8993
180 LEL 0.8992
181 344 0.8992
182 SNU 0.8990
183 S7S 0.8989
184 MKN 0.8989
185 CWJ 0.8988
186 47V 0.8987
187 GB5 0.8986
188 5H6 0.8986
189 NRA 0.8983
190 4RU 0.8982
191 15E 0.8981
192 5VU 0.8979
193 7N8 0.8979
194 4BZ 0.8979
195 1HN 0.8978
196 IS2 0.8978
197 3QV 0.8977
198 15N 0.8977
199 ANN 0.8977
200 RSV 0.8976
201 MD6 0.8976
202 4NS 0.8975
203 J38 0.8974
204 657 0.8972
205 JMG 0.8972
206 C1M 0.8971
207 SKF 0.8971
208 4CN 0.8969
209 TYC 0.8967
210 HJ7 0.8967
211 4JQ 0.8966
212 TZF 0.8966
213 E1T 0.8966
214 A5Q 0.8965
215 ZHA 0.8960
216 1F1 0.8960
217 F4E 0.8955
218 C82 0.8954
219 A29 0.8952
220 88L 0.8949
221 4BX 0.8948
222 C53 0.8947
223 K82 0.8947
224 EN1 0.8946
225 S62 0.8945
226 5O6 0.8944
227 PH3 0.8943
228 1DR 0.8943
229 V1T 0.8942
230 2HC 0.8941
231 FF2 0.8941
232 TGX 0.8940
233 833 0.8937
234 6QF 0.8937
235 L03 0.8935
236 FHV 0.8933
237 SLS 0.8931
238 CHQ 0.8931
239 S60 0.8930
240 PMP 0.8930
241 1ZC 0.8929
242 N2I 0.8927
243 GB4 0.8926
244 DTY 0.8926
245 PUE 0.8925
246 FQX 0.8925
247 K25 0.8923
248 PFF 0.8920
249 X48 0.8920
250 39Z 0.8919
251 9JT 0.8919
252 B56 0.8918
253 36M 0.8917
254 EAE 0.8913
255 ANC 0.8910
256 BP7 0.8909
257 KLV 0.8908
258 YZM 0.8908
259 8V8 0.8908
260 92G 0.8908
261 LR5 0.8906
262 L1O 0.8905
263 0F3 0.8904
264 3AE 0.8904
265 4CM 0.8903
266 GNV 0.8900
267 S0E 0.8900
268 3XR 0.8899
269 WV7 0.8897
270 FHC 0.8897
271 ANF 0.8895
272 4LW 0.8895
273 6FZ 0.8894
274 E1K 0.8893
275 CK2 0.8893
276 NAG 0.8891
277 3D8 0.8891
278 8WO 0.8890
279 AZM 0.8887
280 M5H 0.8885
281 ZRK 0.8885
282 4V2 0.8885
283 0SY 0.8885
284 LZ5 0.8884
285 14W 0.8884
286 THA 0.8884
287 BIH 0.8883
288 4AU 0.8880
289 TCA 0.8878
290 0HN 0.8876
291 4BF 0.8876
292 6NT 0.8869
293 GF4 0.8864
294 FER 0.8864
295 A5E 0.8863
296 9BF 0.8862
297 BVA 0.8861
298 AA 0.8861
299 L1T 0.8860
300 JAW 0.8858
301 K2T 0.8854
302 ZYX 0.8854
303 DAH 0.8848
304 36E 0.8847
305 P4L 0.8847
306 3W3 0.8843
307 LR2 0.8842
308 0FR 0.8842
309 4WL 0.8840
310 RA7 0.8838
311 5VM 0.8838
312 TRP 0.8838
313 NFZ 0.8836
314 HBI 0.8836
315 IOS 0.8836
316 DXK 0.8835
317 DVQ 0.8835
318 9CA 0.8834
319 4FC 0.8832
320 KDV 0.8831
321 9KZ 0.8831
322 XIZ 0.8830
323 4NZ 0.8828
324 6NI 0.8827
325 1Z6 0.8825
326 BIO 0.8822
327 5RP 0.8819
328 IAC 0.8818
329 ES2 0.8817
330 HX4 0.8812
331 6H2 0.8811
332 1M2 0.8811
333 1IT 0.8811
334 5WT 0.8810
335 JGB 0.8810
336 0FK 0.8805
337 6DQ 0.8805
338 52F 0.8805
339 JB8 0.8804
340 CLW 0.8804
341 SJK 0.8801
342 ENW 0.8800
343 72D 0.8796
344 FBF 0.8796
345 LOT 0.8795
346 M28 0.8795
347 JDN 0.8792
348 OTR 0.8792
349 G6P 0.8791
350 0NX 0.8789
351 9FL 0.8788
352 3NY 0.8786
353 44W 0.8786
354 BZJ 0.8785
355 2ZM 0.8784
356 WS7 0.8783
357 8HC 0.8783
358 8MO 0.8782
359 MS9 0.8781
360 NK5 0.8781
361 PO6 0.8781
362 4YO 0.8780
363 EXD 0.8780
364 6RQ 0.8780
365 RYY 0.8778
366 2P3 0.8777
367 A9B 0.8775
368 9FH 0.8773
369 9ZE 0.8771
370 HBO 0.8770
371 XIY 0.8769
372 3W6 0.8768
373 5OR 0.8767
374 HA5 0.8767
375 FYR 0.8767
376 TYE 0.8765
377 2BG 0.8764
378 4TU 0.8764
379 BNL 0.8763
380 S98 0.8763
381 D25 0.8760
382 N2M 0.8760
383 VFG 0.8758
384 PNP 0.8758
385 1A7 0.8753
386 B62 0.8753
387 CXH 0.8751
388 SOR 0.8750
389 FDR 0.8749
390 2WU 0.8748
391 7L4 0.8745
392 FMQ 0.8745
393 M4E 0.8743
394 0BP 0.8741
395 86J 0.8741
396 LC1 0.8740
397 NPS 0.8739
398 6FG 0.8736
399 0HO 0.8735
400 397 0.8735
401 26C 0.8735
402 RES 0.8734
403 JTA 0.8733
404 0FO 0.8732
405 P7Y 0.8732
406 3A9 0.8732
407 5NI 0.8731
408 613 0.8731
409 5SJ 0.8729
410 QX4 0.8728
411 4AB 0.8725
412 AM4 0.8722
413 PJW 0.8722
414 CSN 0.8721
415 DDU 0.8719
416 4ZA 0.8718
417 54E 0.8716
418 5SP 0.8716
419 D9Z 0.8715
420 YI6 0.8711
421 IWT 0.8711
422 BVS 0.8709
423 3SU 0.8707
424 AVX 0.8707
425 S7J 0.8704
426 MAJ 0.8701
427 8W9 0.8701
428 61M 0.8699
429 6L6 0.8695
430 HH6 0.8693
431 L15 0.8692
432 X2M 0.8692
433 YRL 0.8691
434 Q8G 0.8691
435 KBZ 0.8690
436 DRG 0.8690
437 1AJ 0.8689
438 AD6 0.8689
439 5B2 0.8688
440 2HU 0.8688
441 3J8 0.8686
442 5WN 0.8683
443 ET2 0.8683
444 PRF 0.8683
445 AWE 0.8681
446 PHE 0.8679
447 YPN 0.8679
448 NPX 0.8674
449 BPY 0.8674
450 DNA 0.8673
451 YZ9 0.8672
452 R52 0.8670
453 2UZ 0.8670
454 A6W 0.8669
455 1L5 0.8668
456 PNZ 0.8667
457 4XF 0.8664
458 F5C 0.8664
459 DQU 0.8664
460 OA1 0.8662
461 6C9 0.8662
462 7EH 0.8659
463 4P5 0.8654
464 BQ2 0.8654
465 RKV 0.8653
466 LDP 0.8651
467 F6R 0.8650
468 4Z1 0.8649
469 J9N 0.8643
470 EST 0.8640
471 H2B 0.8640
472 GJK 0.8640
473 HDH 0.8640
474 A6P 0.8639
475 HCI 0.8639
476 HWD 0.8639
477 BMZ 0.8636
478 M83 0.8636
479 8CC 0.8635
480 2D2 0.8631
481 MVN 0.8631
482 44V 0.8630
483 R5P 0.8630
484 D26 0.8626
485 LUM 0.8626
486 86L 0.8625
487 SOJ 0.8624
488 XHP 0.8622
489 2FQ 0.8622
490 IYR 0.8621
491 ABI 0.8621
492 HJH 0.8621
493 120 0.8619
494 259 0.8619
495 LIG 0.8612
496 A5P 0.8611
497 G1L 0.8610
498 NGA 0.8610
499 JP2 0.8610
500 0K7 0.8609
501 801 0.8603
502 CR4 0.8600
503 VUP 0.8599
504 ZYQ 0.8595
505 1QV 0.8595
506 KYN 0.8591
507 MZM 0.8588
508 N7I 0.8583
509 OTW 0.8582
510 NFM 0.8565
511 5TO 0.8560
512 7VP 0.8548
513 IPO 0.8545
514 WSD 0.8540
515 U13 0.8533
516 Z21 0.8531
517 92P 0.8519
518 RP3 0.8519
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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