Receptor
PDB id Resolution Class Description Source Keywords
6QOX 1.74 Å EC: 2.1.1.228 CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH FRAGMENT 27 (METHYL( HYDROXYMETHYL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXYLATE) 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
JA5 B:301;
 Valid;
 none;
 submit data
211.238 C9 H9 N O3 S COC(=...
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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: JA5; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 JA5 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: JA5; Similar ligands found: 374
No: Ligand Similarity coefficient
1 7FU 0.9614
2 JBZ 0.9549
3 5LA 0.9497
4 UNJ 0.9482
5 JAH 0.9448
6 3ZB 0.9424
7 2QC 0.9424
8 QIV 0.9419
9 GB5 0.9410
10 I3E 0.9408
11 HNT 0.9366
12 AJG 0.9336
13 5TT 0.9329
14 NY4 0.9328
15 4I8 0.9327
16 LO1 0.9317
17 GVY 0.9304
18 LR8 0.9299
19 E3X 0.9293
20 HC4 0.9292
21 N4E 0.9286
22 9NB 0.9267
23 6KT 0.9259
24 7MW 0.9259
25 P81 0.9255
26 1FE 0.9254
27 80G 0.9254
28 PQS 0.9249
29 S0D 0.9249
30 Y3L 0.9245
31 3VS 0.9239
32 4BY 0.9233
33 XCG 0.9230
34 CPZ 0.9228
35 OQC 0.9222
36 SWX 0.9220
37 B1J 0.9212
38 TID 0.9207
39 A7H 0.9200
40 KLS 0.9197
41 3R4 0.9196
42 KMY 0.9191
43 K7H 0.9178
44 F4E 0.9178
45 IS2 0.9173
46 VC3 0.9172
47 6P3 0.9164
48 RYV 0.9157
49 AJ1 0.9152
50 20N 0.9150
51 6FB 0.9149
52 TMG 0.9143
53 L03 0.9143
54 PRL 0.9137
55 1EB 0.9133
56 4UM 0.9129
57 S0W 0.9121
58 E7S 0.9119
59 36Y 0.9118
60 K3D 0.9117
61 PQM 0.9111
62 4FE 0.9109
63 MSR 0.9107
64 EUH 0.9106
65 88L 0.9094
66 SNO 0.9093
67 RSV 0.9088
68 RES 0.9084
69 ZEC 0.9083
70 J1K 0.9081
71 HPP 0.9077
72 5H6 0.9065
73 ENO 0.9058
74 OLU 0.9057
75 8V8 0.9056
76 NPS 0.9053
77 4HB 0.9052
78 RNO 0.9051
79 3W3 0.9048
80 H4B 0.9047
81 3W8 0.9046
82 ICB 0.9046
83 AWE 0.9044
84 EZL 0.9044
85 F4K 0.9041
86 27K 0.9036
87 X0U 0.9033
88 0UL 0.9028
89 EUE 0.9024
90 6SD 0.9023
91 A5E 0.9023
92 EE8 0.9011
93 5OO 0.9005
94 4Z1 0.9004
95 BZ2 0.9001
96 2FX 0.8999
97 72D 0.8997
98 QBP 0.8997
99 F02 0.8993
100 363 0.8988
101 FF2 0.8986
102 FMQ 0.8984
103 H2B 0.8984
104 AES 0.8983
105 GO2 0.8983
106 S0E 0.8982
107 9R5 0.8982
108 4FC 0.8981
109 K4V 0.8979
110 M4N 0.8978
111 J6W 0.8976
112 JCZ 0.8972
113 K82 0.8970
114 S7S 0.8969
115 ESX 0.8967
116 GB4 0.8966
117 NAG 0.8965
118 3W6 0.8962
119 92G 0.8956
120 0NX 0.8956
121 5TY 0.8954
122 NDD 0.8951
123 5O6 0.8950
124 1A5 0.8947
125 PH3 0.8945
126 L15 0.8941
127 FYR 0.8939
128 549 0.8939
129 STX 0.8937
130 NK5 0.8937
131 CFA 0.8936
132 FZM 0.8934
133 4BF 0.8931
134 613 0.8928
135 AN3 0.8924
136 397 0.8924
137 ZSP 0.8924
138 A5Q 0.8923
139 4BL 0.8920
140 ZYX 0.8920
141 2PV 0.8919
142 5RP 0.8917
143 BX4 0.8915
144 LQ2 0.8915
145 4JE 0.8914
146 S0A 0.8913
147 WA1 0.8911
148 C1M 0.8911
149 5S9 0.8910
150 TYL 0.8910
151 9FH 0.8909
152 50C 0.8909
153 2PK 0.8906
154 BIO 0.8903
155 C53 0.8900
156 5VU 0.8897
157 ESP 0.8895
158 A98 0.8894
159 EN1 0.8893
160 M78 0.8892
161 SNU 0.8889
162 6ZX 0.8887
163 M28 0.8884
164 1BW 0.8880
165 HRM 0.8879
166 3SU 0.8876
167 I2E 0.8875
168 PLP 0.8875
169 M1T 0.8874
170 4NP 0.8871
171 TZF 0.8870
172 N1E 0.8869
173 A7N 0.8868
174 36M 0.8864
175 BVS 0.8864
176 4MB 0.8863
177 YZ9 0.8863
178 4AB 0.8859
179 JMG 0.8859
180 HBI 0.8859
181 FCW 0.8858
182 TYR 0.8856
183 7O4 0.8856
184 CWJ 0.8856
185 PUE 0.8855
186 LR5 0.8855
187 N91 0.8854
188 657 0.8854
189 BC5 0.8854
190 WV7 0.8853
191 OHJ 0.8851
192 68A 0.8850
193 PFF 0.8850
194 A9B 0.8849
195 3VX 0.8847
196 P7V 0.8844
197 ANN 0.8842
198 2JX 0.8840
199 HHS 0.8839
200 4NS 0.8834
201 IPO 0.8833
202 4CF 0.8830
203 428 0.8829
204 BP7 0.8826
205 0OK 0.8825
206 PPY 0.8821
207 KLE 0.8821
208 3VQ 0.8818
209 1F1 0.8818
210 54E 0.8817
211 4NB 0.8817
212 8CC 0.8816
213 BHS 0.8814
214 UA5 0.8813
215 G14 0.8811
216 L4K 0.8809
217 DHC 0.8806
218 109 0.8806
219 SKF 0.8803
220 RKV 0.8802
221 X48 0.8801
222 P9E 0.8801
223 BQ2 0.8800
224 94W 0.8800
225 2K8 0.8796
226 120 0.8794
227 N9J 0.8793
228 ITE 0.8793
229 GJG 0.8790
230 SLS 0.8790
231 HXY 0.8790
232 7EH 0.8788
233 68B 0.8786
234 BVA 0.8786
235 4NZ 0.8785
236 0JD 0.8784
237 4BX 0.8781
238 LZ5 0.8780
239 L1O 0.8779
240 PTB 0.8778
241 0FR 0.8776
242 ODK 0.8776
243 5GV 0.8776
244 7AP 0.8773
245 RCV 0.8773
246 2J1 0.8773
247 BIH 0.8767
248 36E 0.8765
249 H75 0.8762
250 DVQ 0.8761
251 0SY 0.8760
252 NFZ 0.8758
253 FBC 0.8757
254 5OR 0.8757
255 CX6 0.8756
256 2WU 0.8756
257 KBZ 0.8756
258 VFM 0.8755
259 4WL 0.8752
260 CR4 0.8751
261 8YH 0.8751
262 8NB 0.8751
263 PO6 0.8749
264 0XR 0.8749
265 S98 0.8749
266 6DH 0.8747
267 FMH 0.8745
268 MKN 0.8743
269 AM4 0.8743
270 SJK 0.8741
271 124 0.8739
272 0F3 0.8738
273 P4T 0.8737
274 ZHA 0.8734
275 4LW 0.8734
276 RYY 0.8733
277 4AF 0.8732
278 ZRK 0.8730
279 4ZA 0.8730
280 0DF 0.8728
281 PIQ 0.8724
282 TCA 0.8723
283 EES 0.8721
284 ESI 0.8720
285 C82 0.8715
286 A6Z 0.8715
287 EVF 0.8715
288 6NT 0.8711
289 GDL 0.8711
290 D9Z 0.8710
291 BMZ 0.8708
292 2HC 0.8708
293 JAW 0.8707
294 ALE 0.8707
295 YI6 0.8706
296 CXH 0.8705
297 1OT 0.8704
298 15N 0.8703
299 BFL 0.8696
300 72E 0.8694
301 0HN 0.8694
302 7N8 0.8694
303 9FG 0.8693
304 NEU 0.8692
305 ZZA 0.8691
306 5TO 0.8689
307 ZTW 0.8688
308 E1T 0.8678
309 A5P 0.8677
310 0K7 0.8676
311 RA7 0.8676
312 DTY 0.8676
313 FBF 0.8675
314 2P3 0.8672
315 28A 0.8671
316 LR2 0.8670
317 RKN 0.8669
318 2O8 0.8669
319 C4E 0.8668
320 S7V 0.8668
321 4CN 0.8664
322 1Z6 0.8662
323 TEF 0.8657
324 OTR 0.8656
325 BBK 0.8653
326 U13 0.8652
327 8XL 0.8651
328 2GQ 0.8651
329 VUP 0.8640
330 LC1 0.8639
331 A8D 0.8639
332 FHV 0.8638
333 A5H 0.8637
334 D26 0.8634
335 FQX 0.8633
336 86L 0.8632
337 8D6 0.8631
338 D25 0.8630
339 T1N 0.8629
340 4RU 0.8629
341 A2G 0.8626
342 801 0.8626
343 CT0 0.8623
344 E4P 0.8623
345 Y4L 0.8622
346 L14 0.8621
347 9JT 0.8618
348 PH2 0.8616
349 G1L 0.8612
350 LVD 0.8612
351 PMP 0.8611
352 JB8 0.8608
353 XI7 0.8605
354 PNP 0.8604
355 DAH 0.8596
356 AZM 0.8595
357 EAE 0.8595
358 B15 0.8594
359 VGS 0.8582
360 122 0.8582
361 5SJ 0.8575
362 TJM 0.8571
363 1V4 0.8570
364 JDN 0.8569
365 5E5 0.8559
366 BSU 0.8558
367 1V3 0.8544
368 6N4 0.8541
369 56D 0.8541
370 Q0K 0.8538
371 ENW 0.8535
372 KF5 0.8530
373 JL7 0.8530
374 F18 0.8526
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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