Receptor
PDB id Resolution Class Description Source Keywords
6QOV 1.55 Å EC: 2.1.1.228 CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH FRAGMENT 25 (6-PHENP YRIDINYL)METHYLAMINE) 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
JAH A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
184.237 C12 H12 N2 c1ccc...
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: JAH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 JAH 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: JAH; Similar ligands found: 657
No: Ligand Similarity coefficient
1 SWX 0.9854
2 80G 0.9792
3 5TT 0.9726
4 F4K 0.9716
5 2QC 0.9698
6 3VS 0.9690
7 LR8 0.9690
8 54E 0.9683
9 XCG 0.9630
10 6SD 0.9629
11 FZM 0.9594
12 4HB 0.9586
13 KLS 0.9583
14 AWE 0.9573
15 CPZ 0.9569
16 92G 0.9567
17 PQS 0.9561
18 6FB 0.9558
19 E3X 0.9555
20 FMQ 0.9549
21 A5E 0.9545
22 PQM 0.9531
23 JMG 0.9529
24 36Y 0.9527
25 795 0.9526
26 TMG 0.9521
27 X48 0.9514
28 OQC 0.9504
29 6P3 0.9501
30 2PV 0.9487
31 C1M 0.9486
32 FYR 0.9484
33 RA7 0.9482
34 BP7 0.9474
35 MSR 0.9468
36 2PK 0.9468
37 SNU 0.9465
38 GVY 0.9459
39 LO1 0.9452
40 JA5 0.9448
41 14N 0.9446
42 5LA 0.9445
43 SNV 0.9443
44 X0U 0.9429
45 8D6 0.9408
46 P81 0.9402
47 RKN 0.9397
48 0UL 0.9396
49 1Z6 0.9393
50 613 0.9392
51 1A5 0.9389
52 L15 0.9388
53 QME 0.9387
54 72D 0.9379
55 HC4 0.9379
56 VC3 0.9372
57 PRL 0.9369
58 3VQ 0.9354
59 HRM 0.9349
60 ENO 0.9345
61 A5Q 0.9341
62 TZF 0.9338
63 0NX 0.9337
64 TID 0.9336
65 4BY 0.9333
66 KLE 0.9330
67 HNH 0.9329
68 6KT 0.9321
69 PH3 0.9319
70 3ZB 0.9316
71 TYR 0.9315
72 GT4 0.9308
73 C53 0.9306
74 QIV 0.9305
75 EQW 0.9294
76 2FX 0.9291
77 S0W 0.9290
78 4I8 0.9289
79 A7H 0.9288
80 A5H 0.9284
81 4FC 0.9281
82 C82 0.9280
83 ODK 0.9273
84 BQ2 0.9270
85 HNT 0.9270
86 HNL 0.9261
87 HNK 0.9261
88 SOJ 0.9260
89 JCZ 0.9251
90 50C 0.9248
91 KTJ 0.9246
92 0SY 0.9244
93 G14 0.9244
94 HX4 0.9238
95 363 0.9233
96 BNL 0.9232
97 8CC 0.9227
98 7KE 0.9227
99 B1J 0.9224
100 Y3L 0.9224
101 4BF 0.9221
102 PPY 0.9220
103 9FH 0.9217
104 SQ7 0.9216
105 5O6 0.9214
106 K80 0.9208
107 HPP 0.9205
108 FBC 0.9205
109 5OO 0.9205
110 PUE 0.9203
111 OLU 0.9200
112 BVA 0.9197
113 8V8 0.9194
114 N4E 0.9192
115 1ZC 0.9190
116 2P3 0.9188
117 5E5 0.9188
118 26C 0.9187
119 SQ4 0.9185
120 ITE 0.9183
121 ZZA 0.9182
122 PIQ 0.9180
123 FF2 0.9175
124 397 0.9174
125 K7H 0.9173
126 1KN 0.9168
127 BGU 0.9167
128 EN1 0.9165
129 LZ5 0.9162
130 C0H 0.9160
131 6H2 0.9158
132 IS2 0.9158
133 C4E 0.9158
134 78Y 0.9154
135 0OK 0.9148
136 FHV 0.9147
137 I3E 0.9147
138 LJ3 0.9146
139 TYL 0.9146
140 GO2 0.9141
141 D9Z 0.9140
142 2WU 0.9137
143 LOT 0.9136
144 L03 0.9136
145 BX4 0.9135
146 S0D 0.9132
147 IWT 0.9125
148 A6Z 0.9124
149 5H6 0.9121
150 6ZX 0.9119
151 68B 0.9118
152 0ON 0.9112
153 L2K 0.9111
154 0BP 0.9104
155 GOE 0.9103
156 GZ2 0.9102
157 K4V 0.9091
158 H75 0.9089
159 NK5 0.9087
160 HXY 0.9085
161 7O4 0.9083
162 7EH 0.9081
163 4CN 0.9080
164 6MW 0.9079
165 3VX 0.9077
166 RSV 0.9073
167 S7D 0.9069
168 KMY 0.9067
169 ZHA 0.9066
170 CH9 0.9065
171 ZSP 0.9063
172 EES 0.9062
173 AN3 0.9061
174 EE8 0.9060
175 DTY 0.9060
176 LR2 0.9058
177 4CF 0.9058
178 A6W 0.9057
179 9NB 0.9056
180 ZRK 0.9055
181 PFF 0.9053
182 4BL 0.9052
183 R9J 0.9049
184 9JT 0.9049
185 N91 0.9045
186 7FU 0.9044
187 HL4 0.9043
188 MUK 0.9040
189 TYC 0.9039
190 I2E 0.9037
191 J9N 0.9035
192 S7S 0.9033
193 4AF 0.9033
194 S0A 0.9029
195 27K 0.9028
196 2D2 0.9028
197 5OR 0.9028
198 56D 0.9026
199 QBP 0.9026
200 AES 0.9022
201 88L 0.9021
202 1EB 0.9021
203 6FG 0.9019
204 J6W 0.9018
205 NDD 0.9018
206 K3D 0.9018
207 L1T 0.9017
208 DAH 0.9016
209 JBZ 0.9015
210 7MW 0.9014
211 5VU 0.9014
212 MR6 0.9011
213 BC5 0.9009
214 DDU 0.9007
215 PHI 0.9007
216 DHC 0.9006
217 M4N 0.9006
218 4V2 0.9005
219 F18 0.9002
220 FDR 0.9000
221 SYD 0.9000
222 CFA 0.8999
223 UA5 0.8999
224 4LV 0.8999
225 A9B 0.8997
226 P4T 0.8994
227 ZEC 0.8993
228 U13 0.8991
229 GF4 0.8991
230 CX6 0.8990
231 3R4 0.8988
232 8NB 0.8986
233 H4B 0.8984
234 S98 0.8982
235 0FR 0.8981
236 PJW 0.8980
237 BFL 0.8979
238 72E 0.8979
239 68A 0.8978
240 WA1 0.8977
241 AOT 0.8977
242 5TU 0.8975
243 4XF 0.8974
244 4FE 0.8974
245 XDK 0.8971
246 4FF 0.8971
247 4NP 0.8971
248 GB5 0.8969
249 YE6 0.8967
250 YZ9 0.8967
251 1Q1 0.8966
252 M78 0.8965
253 7VP 0.8964
254 MR4 0.8962
255 7N8 0.8960
256 TYE 0.8959
257 1XS 0.8957
258 5GV 0.8956
259 4ZF 0.8956
260 4LW 0.8955
261 ZTW 0.8954
262 F02 0.8953
263 ESP 0.8952
264 KF5 0.8951
265 RNO 0.8950
266 BRH 0.8950
267 A51 0.8948
268 S0E 0.8947
269 KW7 0.8947
270 JRB 0.8947
271 0DF 0.8946
272 1A7 0.8946
273 9R5 0.8943
274 2J1 0.8942
275 NAG 0.8939
276 PNP 0.8937
277 FHC 0.8936
278 J1K 0.8936
279 EAT 0.8936
280 HWD 0.8934
281 WCU 0.8932
282 2K8 0.8931
283 4Z1 0.8930
284 X6W 0.8930
285 NY4 0.8928
286 HHS 0.8928
287 1PS 0.8927
288 PCS 0.8922
289 5B2 0.8921
290 F4E 0.8921
291 LQ2 0.8921
292 CK2 0.8920
293 BIO 0.8919
294 4BX 0.8918
295 MR5 0.8916
296 SNO 0.8915
297 ESX 0.8914
298 4MB 0.8914
299 TCA 0.8913
300 N9J 0.8910
301 5SJ 0.8908
302 ALE 0.8908
303 ERZ 0.8903
304 4NS 0.8902
305 ANN 0.8901
306 BPY 0.8900
307 120 0.8900
308 P80 0.8899
309 WV7 0.8899
310 XI7 0.8895
311 MPK 0.8893
312 FQX 0.8892
313 9FL 0.8891
314 492 0.8890
315 ZEA 0.8890
316 EUE 0.8890
317 FCD 0.8890
318 JF8 0.8889
319 E0O 0.8888
320 4AB 0.8887
321 2GQ 0.8887
322 XIZ 0.8887
323 E7S 0.8886
324 801 0.8885
325 1DR 0.8884
326 A98 0.8884
327 BZJ 0.8883
328 AJG 0.8883
329 HDH 0.8883
330 MJW 0.8881
331 92O 0.8876
332 KP2 0.8874
333 BBY 0.8873
334 DRG 0.8872
335 8UY 0.8871
336 2JX 0.8870
337 4AU 0.8870
338 PNZ 0.8870
339 PIM 0.8869
340 N0Z 0.8868
341 AOY 0.8868
342 AMR 0.8867
343 CR4 0.8866
344 D25 0.8865
345 Q0K 0.8865
346 0K7 0.8865
347 6C9 0.8864
348 3D8 0.8864
349 BZ2 0.8863
350 NCT 0.8861
351 YZM 0.8860
352 HHH 0.8860
353 1F1 0.8858
354 OJD 0.8857
355 ICB 0.8856
356 833 0.8853
357 JFS 0.8852
358 RCV 0.8851
359 OTR 0.8851
360 8YH 0.8851
361 TJM 0.8851
362 6C8 0.8850
363 P9E 0.8850
364 LGT 0.8850
365 5TY 0.8850
366 S7V 0.8850
367 AJ1 0.8848
368 657 0.8847
369 4MP 0.8846
370 PHE 0.8846
371 4FP 0.8844
372 HBI 0.8843
373 H2B 0.8843
374 P4L 0.8843
375 RKV 0.8842
376 IBP 0.8838
377 AVX 0.8838
378 QBS 0.8837
379 JGB 0.8834
380 NPX 0.8832
381 3N0 0.8832
382 TOH 0.8831
383 VUP 0.8829
384 K82 0.8826
385 PTB 0.8826
386 RYV 0.8823
387 7AP 0.8820
388 MXD 0.8818
389 4WL 0.8817
390 36M 0.8817
391 9UL 0.8816
392 MPV 0.8816
393 CXH 0.8816
394 HNM 0.8814
395 6C4 0.8812
396 BZE 0.8810
397 1L5 0.8810
398 52F 0.8809
399 94W 0.8808
400 6N4 0.8806
401 D3G 0.8805
402 MS9 0.8805
403 LLH 0.8803
404 6J5 0.8802
405 L22 0.8802
406 R20 0.8800
407 J9Q 0.8800
408 HCI 0.8800
409 NPS 0.8797
410 II4 0.8797
411 ANC 0.8795
412 NE2 0.8794
413 PLP 0.8794
414 5TO 0.8793
415 9CA 0.8791
416 97T 0.8791
417 6T5 0.8790
418 BIK 0.8789
419 UNJ 0.8789
420 CWJ 0.8788
421 W29 0.8785
422 0HN 0.8784
423 D26 0.8784
424 BHS 0.8782
425 6TZ 0.8782
426 28A 0.8781
427 6QF 0.8780
428 FCW 0.8779
429 LVD 0.8779
430 IOP 0.8778
431 KWV 0.8777
432 2B4 0.8775
433 6C5 0.8775
434 PO6 0.8774
435 7EL 0.8774
436 P7V 0.8773
437 2O8 0.8773
438 KDG 0.8773
439 GJP 0.8772
440 4JQ 0.8772
441 J38 0.8771
442 4RU 0.8770
443 0NJ 0.8769
444 XRS 0.8768
445 3W3 0.8767
446 F40 0.8764
447 LL1 0.8763
448 124 0.8762
449 4TU 0.8761
450 6NI 0.8760
451 WS7 0.8759
452 M3H 0.8758
453 2BX 0.8756
454 GWM 0.8756
455 1IT 0.8755
456 5AD 0.8755
457 0JD 0.8751
458 THA 0.8750
459 344 0.8750
460 TGX 0.8749
461 TT4 0.8748
462 47V 0.8746
463 CWD 0.8745
464 272 0.8744
465 CHQ 0.8743
466 3QV 0.8741
467 ZYQ 0.8738
468 0F3 0.8738
469 IWD 0.8735
470 1FD 0.8735
471 IYR 0.8734
472 THU 0.8734
473 6L6 0.8733
474 GVI 0.8732
475 5WK 0.8732
476 KYN 0.8732
477 A29 0.8731
478 Z21 0.8730
479 15E 0.8730
480 CNI 0.8730
481 CBE 0.8729
482 1FE 0.8729
483 ANF 0.8728
484 3SU 0.8728
485 S60 0.8727
486 1OT 0.8726
487 CC5 0.8726
488 BWD 0.8726
489 2ZM 0.8726
490 DCZ 0.8725
491 BMZ 0.8725
492 4BZ 0.8725
493 6NT 0.8724
494 R2P 0.8724
495 U4J 0.8724
496 Z70 0.8722
497 1HP 0.8719
498 5RP 0.8718
499 15N 0.8717
500 4G2 0.8717
501 KLV 0.8715
502 3NY 0.8714
503 E4P 0.8714
504 DXK 0.8712
505 TRP 0.8711
506 4NZ 0.8710
507 4GU 0.8708
508 HQJ 0.8708
509 MD6 0.8707
510 HFA 0.8706
511 NF3 0.8705
512 JB8 0.8704
513 A7N 0.8703
514 1OS 0.8703
515 IPO 0.8702
516 TB8 0.8701
517 LUM 0.8699
518 2HC 0.8698
519 TCR 0.8697
520 86L 0.8697
521 0XR 0.8695
522 ZYX 0.8694
523 M1T 0.8694
524 G1L 0.8693
525 64Z 0.8692
526 4ZA 0.8691
527 FWD 0.8690
528 ZRL 0.8689
529 245 0.8689
530 B21 0.8688
531 KTW 0.8688
532 WS6 0.8685
533 NGA 0.8685
534 ARG 0.8683
535 28B 0.8682
536 HIS 0.8681
537 4UM 0.8681
538 9FG 0.8681
539 V1T 0.8681
540 TIH 0.8679
541 SJK 0.8679
542 8XL 0.8678
543 8ZE 0.8678
544 HL6 0.8677
545 H4E 0.8676
546 6FZ 0.8673
547 LNR 0.8672
548 HJ7 0.8672
549 549 0.8672
550 YE7 0.8672
551 URI 0.8671
552 4NB 0.8670
553 IAC 0.8669
554 PQV 0.8669
555 EST 0.8661
556 P93 0.8661
557 ZYR 0.8659
558 1Q2 0.8659
559 3D3 0.8658
560 DVQ 0.8655
561 7G0 0.8655
562 SOR 0.8654
563 CT0 0.8654
564 AA 0.8653
565 ODO 0.8653
566 SN4 0.8651
567 3Y7 0.8648
568 KBZ 0.8647
569 PIY 0.8646
570 1HN 0.8646
571 52C 0.8646
572 MP5 0.8645
573 HDI 0.8645
574 M3E 0.8644
575 VGS 0.8642
576 M28 0.8641
577 RUY 0.8638
578 22L 0.8637
579 A2G 0.8637
580 122 0.8637
581 L14 0.8636
582 A5P 0.8636
583 7L4 0.8634
584 LEL 0.8634
585 VM1 0.8632
586 72G 0.8631
587 4JC 0.8630
588 M4S 0.8630
589 12T 0.8628
590 NFZ 0.8628
591 2QV 0.8626
592 4NR 0.8626
593 20N 0.8626
594 7FZ 0.8625
595 VBC 0.8624
596 6HO 0.8624
597 SLS 0.8623
598 AMH 0.8618
599 K48 0.8618
600 NKI 0.8617
601 RES 0.8617
602 DUR 0.8617
603 FBF 0.8616
604 FUD 0.8614
605 OHJ 0.8612
606 DEZ 0.8612
607 61M 0.8611
608 LR5 0.8608
609 5TZ 0.8608
610 GB4 0.8608
611 IQW 0.8605
612 LIG 0.8604
613 3XH 0.8604
614 AP6 0.8602
615 EQU 0.8602
616 HHI 0.8602
617 BSU 0.8600
618 46P 0.8598
619 Q9T 0.8596
620 M45 0.8595
621 E1K 0.8595
622 IQZ 0.8593
623 AM4 0.8593
624 SV4 0.8591
625 CS2 0.8588
626 BIH 0.8586
627 5SP 0.8584
628 3AE 0.8580
629 27B 0.8580
630 D8Q 0.8577
631 428 0.8575
632 LFQ 0.8575
633 FMH 0.8575
634 0OY 0.8574
635 BTM 0.8574
636 3D1 0.8572
637 XYP XYP 0.8565
638 EZL 0.8564
639 TIA 0.8562
640 0LA 0.8561
641 DHY 0.8561
642 E5X 0.8560
643 IIH 0.8558
644 HBO 0.8556
645 MOK 0.8554
646 BPN 0.8553
647 N2I 0.8551
648 4CM 0.8541
649 M1Z 0.8538
650 FC2 0.8538
651 BBK 0.8537
652 EAE 0.8533
653 7ZL 0.8531
654 5V7 0.8530
655 HH6 0.8523
656 HA5 0.8517
657 RDV 0.8509
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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