Receptor
PDB id Resolution Class Description Source Keywords
6QOS 2.05 Å EC: 2.1.1.228 CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH FRAGMENT 22 (ETHYL P YRAZOLE-4-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
GOJ B:302;
A:301;
 Valid;
Valid;
 none;
none;
 submit data
140.14 C6 H8 N2 O2 CCOC(...
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: GOJ; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GOJ 1 1
2 JF5 0.574468 0.878788
3 JCQ 0.473684 0.769231
4 JDE 0.411765 0.714286
5 JET 0.409091 0.681818
Similar Ligands (3D)
Ligand no: 1; Ligand: GOJ; Similar ligands found: 838
No: Ligand Similarity coefficient
1 269 0.9653
2 ISZ 0.9644
3 BHO 0.9619
4 XBT 0.9618
5 NIZ 0.9612
6 BZ3 0.9604
7 BNF 0.9583
8 5XC 0.9572
9 2BG 0.9569
10 S8V 0.9553
11 DE5 0.9541
12 FBJ 0.9537
13 5OB 0.9533
14 ZBT 0.9521
15 54D 0.9502
16 I1E 0.9499
17 MR1 0.9488
18 F9Y 0.9486
19 MXN 0.9479
20 HSO 0.9473
21 SMN 0.9463
22 CFI 0.9462
23 TZL 0.9452
24 RM1 0.9451
25 BCU 0.9450
26 7C3 0.9425
27 YZM 0.9423
28 1M2 0.9423
29 M6W 0.9415
30 FEH 0.9412
31 268 0.9409
32 PNZ 0.9409
33 258 0.9408
34 1DJ 0.9405
35 MNN 0.9398
36 RJY 0.9385
37 NYL 0.9383
38 49F 0.9383
39 CWJ 0.9380
40 PKU 0.9378
41 FQI 0.9376
42 I3A 0.9370
43 PEL 0.9370
44 ANN 0.9363
45 XRG 0.9362
46 173 0.9361
47 E5X 0.9361
48 AL0 0.9358
49 TPA 0.9358
50 ACA 0.9353
51 1L5 0.9347
52 FK1 0.9344
53 FBM 0.9338
54 TSS 0.9334
55 OGA 0.9332
56 0HN 0.9328
57 AKG 0.9320
58 F9P 0.9316
59 HSM 0.9313
60 6NT 0.9310
61 94W 0.9307
62 AMH 0.9304
63 GLU 0.9302
64 ONH 0.9299
65 JB8 0.9299
66 K34 0.9295
67 9RW 0.9294
68 8ZE 0.9293
69 M45 0.9293
70 N2I 0.9292
71 717 0.9289
72 HL5 0.9287
73 PIM 0.9287
74 LMR 0.9286
75 HIS 0.9281
76 GLY GLY 0.9281
77 Z82 0.9281
78 GUA 0.9280
79 6AI 0.9278
80 CLW 0.9278
81 VGD 0.9277
82 ES2 0.9273
83 1P8 0.9271
84 FK8 0.9271
85 KDV 0.9268
86 HQJ 0.9266
87 PEA 0.9263
88 PRA 0.9262
89 DHR 0.9261
90 4FS 0.9261
91 4BZ 0.9257
92 AEF 0.9256
93 4NM 0.9255
94 6NI 0.9254
95 OW4 0.9253
96 LDP 0.9252
97 42A 0.9252
98 PAC 0.9248
99 36R 0.9247
100 HY1 0.9245
101 5H1 0.9243
102 AHN 0.9242
103 2ZM 0.9242
104 7HQ 0.9240
105 TCA 0.9236
106 MET 0.9235
107 259 0.9233
108 1P7 0.9231
109 2HU 0.9229
110 ORN 0.9225
111 1F1 0.9224
112 PO6 0.9223
113 GJZ 0.9221
114 AG2 0.9218
115 6M4 0.9217
116 MLT 0.9215
117 2HG 0.9213
118 2K4 0.9211
119 JAW 0.9209
120 4MA 0.9209
121 XUL 0.9209
122 0HO 0.9206
123 0LH 0.9206
124 ET2 0.9205
125 OVM 0.9203
126 TIU 0.9202
127 6NA 0.9199
128 8OZ 0.9196
129 HCI 0.9196
130 DEE 0.9194
131 HHI 0.9193
132 LYS 0.9189
133 14J 0.9188
134 YRL 0.9182
135 CEE 0.9179
136 264 0.9178
137 5XA 0.9176
138 OAA 0.9175
139 3NY 0.9174
140 RMN 0.9174
141 GRO 0.9171
142 XIY 0.9170
143 K7M 0.9169
144 KMH 0.9169
145 1Y6 0.9168
146 DHI 0.9168
147 2LP 0.9167
148 BAM 0.9165
149 NCT 0.9165
150 GVG 0.9162
151 JBN 0.9161
152 J9T 0.9161
153 4WL 0.9158
154 OTR 0.9157
155 AHR 0.9157
156 JA8 0.9156
157 ESP 0.9156
158 PHE 0.9153
159 N4B 0.9153
160 OKG 0.9150
161 5B1 0.9149
162 URP 0.9147
163 N6C 0.9146
164 5XB 0.9146
165 OVP 0.9145
166 45L 0.9144
167 HC4 0.9143
168 D3G 0.9142
169 RBJ 0.9139
170 XIZ 0.9138
171 2HQ 0.9137
172 ICO 0.9136
173 CPZ 0.9136
174 B09 0.9136
175 JZ7 0.9135
176 HDH 0.9135
177 ABI 0.9135
178 2F6 0.9132
179 S2G 0.9130
180 6TZ 0.9129
181 NMJ 0.9129
182 F4E 0.9128
183 NF3 0.9126
184 BNL 0.9124
185 4P5 0.9122
186 URO 0.9122
187 MSR 0.9122
188 F60 0.9121
189 KOJ 0.9121
190 BRT 0.9120
191 069 0.9119
192 FOC 0.9118
193 HMU 0.9118
194 ESX 0.9116
195 APG 0.9115
196 M3H 0.9113
197 RD4 0.9112
198 MED 0.9111
199 5WZ 0.9109
200 5NI 0.9108
201 L5V 0.9107
202 3A9 0.9106
203 K2T 0.9105
204 SRT 0.9102
205 3MB 0.9102
206 9R5 0.9101
207 0JD 0.9100
208 PZA 0.9099
209 GLN 0.9097
210 TYL 0.9097
211 TZC 0.9096
212 FYU 0.9095
213 PSJ 0.9094
214 6M9 0.9094
215 J9Q 0.9093
216 HA5 0.9092
217 G3P 0.9090
218 3BU 0.9089
219 15N 0.9088
220 LT1 0.9088
221 OMD 0.9088
222 OVV 0.9087
223 PG3 0.9087
224 COI 0.9086
225 FAN 0.9084
226 8H8 0.9083
227 R20 0.9082
228 HBD 0.9079
229 E1T 0.9079
230 BZ2 0.9079
231 M74 0.9079
232 DGL 0.9078
233 J9N 0.9076
234 YPN 0.9074
235 BEN 0.9074
236 CXF 0.9074
237 795 0.9074
238 OK7 0.9074
239 GGL 0.9073
240 SW7 0.9071
241 M5E 0.9071
242 RBL 0.9071
243 FBB 0.9071
244 36M 0.9071
245 HBA 0.9069
246 5VM 0.9068
247 INO 0.9067
248 DYA 0.9064
249 TSR 0.9064
250 K6V 0.9062
251 B40 0.9062
252 4LW 0.9062
253 52C 0.9061
254 BSX 0.9057
255 4ZA 0.9055
256 QXW 0.9054
257 SHV 0.9053
258 CUW 0.9053
259 SD4 0.9052
260 DTL 0.9051
261 BEZ 0.9050
262 O45 0.9049
263 LNR 0.9049
264 3HG 0.9048
265 SHA 0.9047
266 IAC 0.9044
267 8WT 0.9043
268 XYL 0.9043
269 MEV 0.9043
270 6JN 0.9043
271 PBN 0.9042
272 FA0 0.9042
273 GLC 0.9040
274 PHU 0.9039
275 AC0 0.9039
276 NCA 0.9038
277 DAV 0.9038
278 MHN 0.9036
279 4JT 0.9035
280 3NT 0.9035
281 6PC 0.9034
282 IXW 0.9034
283 1CO 0.9034
284 RB5 0.9033
285 QWN 0.9033
286 KMT 0.9032
287 AE3 0.9032
288 SNO 0.9032
289 OCH 0.9030
290 03V 0.9030
291 J6W 0.9029
292 5GU 0.9029
293 CXP 0.9029
294 NTN 0.9029
295 NNO 0.9028
296 GTQ 0.9026
297 PPY 0.9026
298 97T 0.9024
299 QSC 0.9024
300 PG0 0.9023
301 4VP 0.9021
302 9J3 0.9021
303 DHB 0.9020
304 ICB 0.9019
305 FP1 0.9019
306 PHB 0.9018
307 N8Y 0.9018
308 2RH 0.9017
309 BHH 0.9015
310 A29 0.9012
311 GLO 0.9012
312 H42 0.9010
313 BPN 0.9010
314 5NU 0.9009
315 M1E 0.9008
316 8WO 0.9008
317 NIO 0.9007
318 NBZ 0.9007
319 HMH 0.9006
320 2PC 0.9005
321 PDC 0.9005
322 DMD 0.9005
323 M4T 0.9005
324 L22 0.9003
325 YH7 0.9002
326 TEO 0.9001
327 4SD 0.9001
328 9ZE 0.9001
329 COU 0.9000
330 SLS 0.8999
331 Q02 0.8999
332 XLS 0.8998
333 SN4 0.8997
334 QDK 0.8996
335 PIY 0.8996
336 PBC 0.8995
337 2FY 0.8993
338 5JQ 0.8993
339 PEP 0.8992
340 JZ5 0.8992
341 5WV 0.8992
342 GLY ALA 0.8992
343 M0W 0.8991
344 7MU 0.8990
345 DAL DAL 0.8988
346 SIN 0.8988
347 LPK 0.8988
348 SDD 0.8988
349 FUM 0.8987
350 KJU 0.8986
351 92K 0.8986
352 ZZT 0.8985
353 NVU 0.8985
354 HIO 0.8983
355 RA7 0.8983
356 PRY 0.8982
357 JF6 0.8981
358 0TU 0.8980
359 6FZ 0.8979
360 UNU 0.8978
361 SRO 0.8978
362 61M 0.8977
363 HHH 0.8977
364 PMB 0.8977
365 PBA 0.8975
366 PYC 0.8975
367 2AL 0.8974
368 DZA 0.8974
369 SAL 0.8973
370 2MI 0.8972
371 NOJ 0.8972
372 ISN 0.8970
373 RNO 0.8969
374 7W4 0.8968
375 7A8 0.8968
376 5FX 0.8967
377 4TB 0.8967
378 4JM 0.8966
379 4JQ 0.8963
380 RNS 0.8961
381 1GP 0.8961
382 E79 0.8961
383 N9J 0.8958
384 NLE 0.8958
385 PZM 0.8957
386 NSP 0.8956
387 263 0.8955
388 MAH 0.8954
389 4HC 0.8954
390 4VY 0.8954
391 3OL 0.8954
392 A7H 0.8952
393 EOU 0.8952
394 M4E 0.8951
395 LZM 0.8951
396 492 0.8950
397 VGL 0.8950
398 XQ0 0.8949
399 FUD 0.8948
400 4YO 0.8948
401 CWS 0.8946
402 6VD 0.8945
403 ODO 0.8944
404 R2P 0.8944
405 15E 0.8944
406 PZI 0.8943
407 5CU 0.8940
408 WCE 0.8940
409 1SH 0.8939
410 JZ4 0.8939
411 ASC 0.8937
412 PRO 0.8937
413 FOA 0.8937
414 J9W 0.8936
415 XQG 0.8935
416 RUY 0.8935
417 A09 0.8935
418 TAR 0.8935
419 PD2 0.8934
420 KUF 0.8933
421 41K 0.8932
422 6KT 0.8931
423 QY9 0.8928
424 H8N 0.8928
425 HTX 0.8926
426 0F9 0.8925
427 AC6 0.8924
428 2IT 0.8923
429 MEW 0.8923
430 URC 0.8921
431 IWT 0.8920
432 GP9 0.8920
433 ROR 0.8918
434 0CU 0.8917
435 4A3 0.8917
436 I38 0.8916
437 9FE 0.8915
438 3DO 0.8913
439 4M0 0.8913
440 4LV 0.8913
441 4V2 0.8912
442 3S5 0.8911
443 75K 0.8910
444 PAB 0.8909
445 R9Y 0.8908
446 174 0.8907
447 T9G 0.8906
448 1LN 0.8906
449 R9S 0.8905
450 B3M 0.8904
451 TAG 0.8904
452 JFJ 0.8904
453 3AL 0.8903
454 M0Q 0.8903
455 PBZ 0.8903
456 2EC 0.8901
457 DOB 0.8901
458 36Y 0.8901
459 4FA 0.8899
460 4NC 0.8899
461 HX2 0.8898
462 BPW 0.8896
463 VKC 0.8895
464 3SL 0.8895
465 7VP 0.8895
466 KDG 0.8892
467 A3M 0.8891
468 7O4 0.8890
469 0OC 0.8890
470 NPO 0.8888
471 AEG 0.8887
472 0NX 0.8886
473 HL4 0.8886
474 C2Y 0.8885
475 H4E 0.8884
476 271 0.8883
477 IPB 0.8881
478 LEA 0.8880
479 SS1 0.8879
480 SSB 0.8879
481 OCT 0.8877
482 ZGL 0.8876
483 G3H 0.8875
484 5QY 0.8875
485 TSU 0.8874
486 DHS 0.8874
487 0BP 0.8873
488 GO2 0.8872
489 PGH 0.8871
490 4HP 0.8871
491 PMF 0.8870
492 RSO 0.8869
493 KTJ 0.8867
494 AOS 0.8867
495 X1R 0.8867
496 69O 0.8867
497 1SA 0.8865
498 J5I 0.8865
499 3PG 0.8864
500 C21 0.8864
501 2A9 0.8864
502 ASO 0.8863
503 KMY 0.8863
504 FB2 0.8862
505 TLA 0.8862
506 4ZC 0.8861
507 23J 0.8861
508 BHA 0.8861
509 428 0.8861
510 3AB 0.8861
511 42J 0.8860
512 M2K 0.8860
513 DHY 0.8860
514 152 0.8859
515 OEG 0.8859
516 N2Z 0.8856
517 0R0 0.8852
518 LEU 0.8852
519 AOT 0.8852
520 ASP 0.8851
521 TH7 0.8851
522 8GC 0.8850
523 GAB 0.8850
524 LLQ 0.8849
525 9FL 0.8849
526 261 0.8849
527 7UC 0.8849
528 MZW 0.8845
529 ALE 0.8844
530 UGC 0.8844
531 TGX 0.8844
532 E7Z 0.8842
533 3ID 0.8842
534 JND 0.8841
535 L99 0.8840
536 M58 0.8839
537 7WG 0.8838
538 PAH 0.8838
539 TP5 0.8838
540 HX4 0.8838
541 A2F 0.8837
542 MPV 0.8836
543 13P 0.8835
544 8G0 0.8835
545 SME 0.8835
546 3YP 0.8834
547 MAJ 0.8833
548 P72 0.8832
549 BK9 0.8831
550 PPT 0.8831
551 3R6 0.8830
552 5JL 0.8829
553 53C 0.8829
554 P4B 0.8826
555 92G 0.8825
556 SMV 0.8825
557 OW7 0.8824
558 MQB 0.8824
559 EYV 0.8823
560 YCP 0.8822
561 ILE 0.8821
562 XM0 0.8820
563 Q03 0.8819
564 TZF 0.8819
565 826 0.8817
566 5HN 0.8816
567 C1M 0.8816
568 273 0.8815
569 SYN 0.8815
570 2HO 0.8815
571 OHG 0.8815
572 4PN 0.8814
573 KTA 0.8814
574 9X7 0.8813
575 TYE 0.8812
576 PGA 0.8811
577 HLZ 0.8810
578 MS9 0.8809
579 AZA 0.8807
580 5LA 0.8805
581 PRO GLY 0.8803
582 ESI 0.8800
583 9CA 0.8799
584 TYR 0.8799
585 6RQ 0.8798
586 IZC 0.8796
587 BNS 0.8796
588 LNO 0.8795
589 2BX 0.8794
590 I4B 0.8793
591 4XR 0.8792
592 DLY 0.8792
593 93K 0.8791
594 JAB 0.8791
595 3HB 0.8790
596 MRY 0.8789
597 MNM 0.8789
598 AT3 0.8788
599 7N0 0.8787
600 IT2 0.8786
601 5DL 0.8785
602 GZL 0.8785
603 DA4 0.8783
604 4J8 0.8782
605 EA1 0.8781
606 3PF 0.8776
607 CH9 0.8776
608 SYV 0.8774
609 PSE 0.8773
610 ABN 0.8772
611 N1E 0.8772
612 ALA ALA 0.8772
613 ONR 0.8770
614 1Z6 0.8770
615 5MK 0.8767
616 4A5 0.8767
617 LVD 0.8766
618 2CO 0.8766
619 0RW 0.8765
620 4LR 0.8764
621 8XL 0.8764
622 KTW 0.8763
623 4MV 0.8763
624 1IT 0.8762
625 URS 0.8762
626 P22 0.8760
627 L14 0.8760
628 PCA 0.8760
629 3HP 0.8759
630 R67 0.8759
631 1X4 0.8759
632 P81 0.8759
633 ZON 0.8756
634 PH3 0.8755
635 4TU 0.8752
636 THE 0.8752
637 1A7 0.8750
638 6ZX 0.8749
639 SHI 0.8749
640 MUA 0.8747
641 TZE 0.8746
642 2HC 0.8746
643 BGC 0.8745
644 HCS 0.8744
645 DEW 0.8744
646 IOS 0.8743
647 SHO 0.8742
648 SOR 0.8741
649 ES7 0.8740
650 E35 0.8738
651 DQY 0.8737
652 GXY 0.8736
653 9TW 0.8735
654 DII 0.8734
655 1MR 0.8733
656 4NB 0.8731
657 9YL 0.8731
658 EHM 0.8729
659 4XF 0.8726
660 ABU 0.8723
661 UY7 0.8723
662 JXZ 0.8723
663 P92 0.8720
664 3Z8 0.8719
665 JLZ 0.8719
666 BZJ 0.8718
667 SEP 0.8717
668 2AK 0.8717
669 SNU 0.8717
670 HG3 0.8717
671 6AP 0.8716
672 AX7 0.8715
673 SPV 0.8715
674 JAE 0.8713
675 SR1 0.8713
676 S24 0.8713
677 AJ2 0.8711
678 5RO 0.8711
679 IFL 0.8710
680 QUZ 0.8708
681 7W1 0.8708
682 4AA 0.8707
683 LTL 0.8706
684 CCU 0.8706
685 LQ2 0.8705
686 GPJ 0.8705
687 PQK 0.8704
688 7QS 0.8704
689 MAE 0.8704
690 DHC 0.8702
691 GVM 0.8702
692 8W9 0.8702
693 270 0.8701
694 TT4 0.8699
695 GPF 0.8699
696 PJW 0.8698
697 APS 0.8696
698 I3E 0.8695
699 LT2 0.8695
700 0L1 0.8695
701 MTL 0.8693
702 SKF 0.8689
703 FBS 0.8688
704 ABV 0.8688
705 RAT 0.8688
706 7MX 0.8688
707 86J 0.8687
708 4BL 0.8686
709 Q9Z 0.8686
710 265 0.8684
711 6HO 0.8682
712 5LD 0.8681
713 D48 0.8680
714 1P3 0.8677
715 Q88 0.8676
716 OCA 0.8676
717 NLP 0.8673
718 M4S 0.8673
719 2O6 0.8673
720 0W1 0.8673
721 AAN 0.8672
722 FIX 0.8670
723 LER 0.8670
724 JB5 0.8669
725 2CK 0.8668
726 4MU 0.8668
727 2AQ 0.8667
728 M44 0.8666
729 SKA 0.8665
730 M6H 0.8664
731 IUR 0.8664
732 PPR 0.8663
733 9RH 0.8661
734 AZM 0.8658
735 MD6 0.8658
736 PYF 0.8657
737 QBM 0.8657
738 1BN 0.8656
739 3GZ 0.8655
740 PH2 0.8655
741 RTK 0.8652
742 1XM 0.8651
743 HFA 0.8650
744 GUN 0.8645
745 UN1 0.8644
746 DPN 0.8644
747 1PT 0.8640
748 JXN 0.8638
749 IV2 0.8638
750 ES5 0.8638
751 G3E 0.8637
752 FBA 0.8636
753 PRF 0.8636
754 0FO 0.8634
755 3HM 0.8631
756 E4P 0.8628
757 QX4 0.8628
758 4BY 0.8627
759 CS2 0.8626
760 0FK 0.8625
761 HPP 0.8624
762 AX3 0.8623
763 40E 0.8623
764 NOY 0.8623
765 6ME 0.8623
766 A5E 0.8621
767 MCT 0.8621
768 OOG 0.8619
769 GAG 0.8618
770 QMP 0.8617
771 RNT 0.8615
772 PQ0 0.8615
773 36E 0.8614
774 AAE 0.8614
775 4CS 0.8613
776 DTU 0.8610
777 CTL 0.8608
778 NM2 0.8605
779 NM3 0.8605
780 GAL 0.8605
781 P9P 0.8604
782 IF7 0.8604
783 AZ8 0.8603
784 EVF 0.8600
785 5QX 0.8600
786 DGJ 0.8598
787 4ME 0.8597
788 3R4 0.8597
789 P9E 0.8596
790 CIT 0.8596
791 S2P 0.8594
792 4JC 0.8594
793 C2B 0.8594
794 7BC 0.8593
795 CK2 0.8592
796 HYP 0.8592
797 Z5P 0.8591
798 2FT 0.8590
799 AJV 0.8589
800 TH0 0.8587
801 M6Z 0.8587
802 ZYR 0.8584
803 JKE 0.8581
804 4AV 0.8580
805 P7Y 0.8580
806 GZ3 0.8579
807 FHB 0.8579
808 M1A 0.8579
809 HHR 0.8578
810 B85 0.8574
811 G14 0.8574
812 SPA 0.8572
813 282 0.8572
814 TTL 0.8570
815 CFA 0.8567
816 GLR 0.8566
817 11C 0.8566
818 W81 0.8564
819 HXY 0.8563
820 LUQ 0.8562
821 HBX 0.8560
822 SE2 0.8559
823 AHC 0.8557
824 BEA 0.8557
825 TWO 0.8557
826 A7N 0.8553
827 PRZ 0.8545
828 UNJ 0.8544
829 MYJ 0.8542
830 EV0 0.8539
831 GWM 0.8537
832 S0E 0.8530
833 EGR 0.8529
834 X0V 0.8528
835 ODK 0.8523
836 EUE 0.8515
837 98J 0.8511
838 TZM 0.8508
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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