Receptor
PDB id Resolution Class Description Source Keywords
6QQS 1.76 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.: 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
JCZ A:301;
B:301;
 Valid;
Valid;
 none;
none;
 Kd = 110 uM
198.224 C11 H10 N4 c1cc(...
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: JCZ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 JCZ 1 1
2 JF8 0.453125 0.864865
Similar Ligands (3D)
Ligand no: 1; Ligand: JCZ; Similar ligands found: 809
No: Ligand Similarity coefficient
1 363 0.9797
2 833 0.9756
3 2JX 0.9747
4 S0D 0.9693
5 XCG 0.9668
6 2P3 0.9655
7 5E5 0.9638
8 ODK 0.9627
9 TMG 0.9623
10 N1E 0.9621
11 3VQ 0.9618
12 2D2 0.9602
13 6SD 0.9601
14 7O4 0.9600
15 5B2 0.9593
16 5TZ 0.9583
17 4CN 0.9574
18 4I8 0.9550
19 KLE 0.9521
20 PUE 0.9520
21 RKV 0.9519
22 H75 0.9511
23 ZRK 0.9510
24 7L4 0.9504
25 C4E 0.9503
26 2QU 0.9499
27 2PV 0.9497
28 II4 0.9495
29 TRP 0.9490
30 AVX 0.9487
31 78Y 0.9482
32 2GQ 0.9479
33 4FF 0.9477
34 1FE 0.9475
35 3VS 0.9474
36 YE7 0.9470
37 FZM 0.9463
38 9JT 0.9449
39 KLS 0.9448
40 ITE 0.9447
41 4HB 0.9446
42 GO2 0.9445
43 QIV 0.9442
44 0DF 0.9441
45 F40 0.9440
46 C82 0.9433
47 PQM 0.9427
48 GT4 0.9426
49 49P 0.9426
50 A6W 0.9424
51 AVA 0.9424
52 2FX 0.9423
53 0UL 0.9410
54 L2K 0.9410
55 1EB 0.9408
56 PRL 0.9406
57 LZ5 0.9404
58 Y3L 0.9401
59 6MW 0.9400
60 0SY 0.9387
61 I2E 0.9387
62 DXK 0.9386
63 7EH 0.9383
64 IOP 0.9383
65 LL1 0.9381
66 JBZ 0.9380
67 RCV 0.9377
68 BGU 0.9373
69 9CE 0.9371
70 0LO 0.9369
71 5F8 0.9366
72 GVY 0.9366
73 5FL 0.9363
74 0FR 0.9356
75 6C8 0.9356
76 2PK 0.9350
77 VM1 0.9346
78 EV2 0.9344
79 0OK 0.9341
80 6FB 0.9341
81 ZZA 0.9340
82 TID 0.9340
83 M78 0.9339
84 G2V 0.9339
85 8D6 0.9338
86 OLU 0.9331
87 4ZF 0.9327
88 LEL 0.9325
89 3VX 0.9324
90 N91 0.9322
91 E3X 0.9319
92 3D8 0.9318
93 47V 0.9318
94 YE6 0.9318
95 6FG 0.9315
96 9NB 0.9315
97 VC3 0.9313
98 LR2 0.9313
99 1V1 0.9312
100 6DQ 0.9311
101 4Z9 0.9311
102 HNT 0.9308
103 BQ2 0.9307
104 M4N 0.9306
105 NK5 0.9303
106 P4L 0.9302
107 ERZ 0.9301
108 DHC 0.9300
109 5V7 0.9299
110 IQQ 0.9299
111 3F4 0.9298
112 20D 0.9297
113 GZ2 0.9297
114 2QV 0.9294
115 FQX 0.9293
116 28A 0.9291
117 8CC 0.9287
118 RGK 0.9287
119 NKI 0.9287
120 SWX 0.9285
121 SZ5 0.9283
122 HH6 0.9281
123 A73 0.9280
124 9BF 0.9275
125 25F 0.9272
126 A5H 0.9271
127 2WU 0.9271
128 MD6 0.9266
129 4BL 0.9265
130 4BY 0.9262
131 TCR 0.9261
132 SQV 0.9260
133 G14 0.9260
134 IDZ 0.9259
135 4NP 0.9259
136 DFL 0.9258
137 P80 0.9255
138 5VU 0.9253
139 JAH 0.9251
140 QR2 0.9250
141 PQS 0.9249
142 LI7 0.9248
143 68B 0.9244
144 5F5 0.9242
145 FF2 0.9242
146 4V2 0.9241
147 A9B 0.9240
148 HC4 0.9239
149 HRM 0.9239
150 5SJ 0.9234
151 0NX 0.9232
152 NDD 0.9229
153 EQW 0.9228
154 397 0.9228
155 DRG 0.9226
156 P81 0.9226
157 6KT 0.9224
158 4AU 0.9223
159 K7H 0.9223
160 7MW 0.9222
161 L22 0.9222
162 X2M 0.9218
163 TYR 0.9217
164 L1T 0.9216
165 7FU 0.9215
166 9UL 0.9211
167 3ZB 0.9209
168 JMG 0.9207
169 5NN 0.9205
170 JSX 0.9202
171 XI7 0.9202
172 FHV 0.9201
173 EWG 0.9201
174 X0U 0.9201
175 54E 0.9200
176 K48 0.9199
177 VBC 0.9198
178 LR8 0.9197
179 QBP 0.9196
180 RVE 0.9193
181 1V4 0.9192
182 0NJ 0.9190
183 ZRL 0.9190
184 BZQ 0.9182
185 5ER 0.9175
186 CX6 0.9173
187 ZEA 0.9172
188 AJG 0.9167
189 L03 0.9166
190 WLH 0.9165
191 2QC 0.9164
192 YZ9 0.9162
193 LO1 0.9161
194 A51 0.9159
195 8NB 0.9156
196 P93 0.9156
197 3GX 0.9153
198 344 0.9152
199 3SU 0.9150
200 AOY 0.9150
201 9FH 0.9149
202 C53 0.9148
203 6H2 0.9147
204 4NS 0.9147
205 6C9 0.9146
206 A5Q 0.9144
207 2J1 0.9144
208 GB5 0.9142
209 M83 0.9142
210 5C1 0.9142
211 EN1 0.9140
212 272 0.9140
213 X48 0.9137
214 D25 0.9137
215 F18 0.9136
216 1DR 0.9135
217 FER 0.9134
218 QME 0.9132
219 1V3 0.9131
220 UNJ 0.9130
221 BVS 0.9129
222 B1J 0.9129
223 4BX 0.9124
224 P4T 0.9124
225 AJ1 0.9123
226 4MB 0.9121
227 AN3 0.9120
228 C0H 0.9120
229 ZME 0.9119
230 3QV 0.9115
231 20N 0.9114
232 XDK 0.9112
233 5S9 0.9111
234 6J5 0.9110
235 6C4 0.9108
236 LFQ 0.9106
237 5TO 0.9105
238 BPY 0.9103
239 FCD 0.9102
240 92G 0.9100
241 ZHA 0.9099
242 CC5 0.9096
243 5TY 0.9096
244 DTR 0.9095
245 NY4 0.9094
246 0K7 0.9090
247 N0Z 0.9090
248 E9L 0.9090
249 J1K 0.9088
250 HRD 0.9087
251 TYE 0.9086
252 K3D 0.9085
253 6C5 0.9083
254 6P3 0.9083
255 XYP XYP 0.9081
256 1AJ 0.9079
257 M5H 0.9077
258 IOS 0.9077
259 MSR 0.9077
260 C0W 0.9076
261 EQA 0.9074
262 S7S 0.9073
263 5WN 0.9072
264 CX4 0.9072
265 ENO 0.9070
266 MUK 0.9067
267 LRW 0.9067
268 CPZ 0.9066
269 492 0.9066
270 D2G 0.9064
271 CK2 0.9062
272 NAL 0.9062
273 LIG 0.9060
274 CDJ 0.9059
275 LTN 0.9059
276 YIP 0.9059
277 H2W 0.9058
278 CHQ 0.9058
279 AMR 0.9057
280 WG8 0.9056
281 22L 0.9055
282 W8L 0.9053
283 848 0.9053
284 SSY 0.9053
285 1ZC 0.9053
286 3IL 0.9052
287 8XL 0.9052
288 BBY 0.9051
289 KMY 0.9051
290 FT6 0.9050
291 U4J 0.9049
292 R20 0.9048
293 LSQ 0.9046
294 4UM 0.9046
295 A7H 0.9045
296 0ON 0.9045
297 OQC 0.9043
298 A63 0.9043
299 3R4 0.9042
300 1XS 0.9039
301 U7E 0.9037
302 AUV 0.9036
303 VT3 0.9035
304 8NX 0.9033
305 7G0 0.9029
306 3VW 0.9029
307 H4B 0.9028
308 5OO 0.9027
309 NRA 0.9026
310 P7V 0.9026
311 6HO 0.9025
312 2HC 0.9024
313 4FE 0.9024
314 J38 0.9024
315 MR6 0.9024
316 NAG 0.9023
317 F4E 0.9023
318 CXH 0.9023
319 7N8 0.9022
320 GB4 0.9019
321 MKN 0.9019
322 ALE 0.9017
323 EAT 0.9016
324 50C 0.9012
325 5OR 0.9012
326 WV7 0.9011
327 NIY 0.9011
328 NFZ 0.9010
329 CBE 0.9010
330 AWE 0.9009
331 CFA 0.9009
332 NPX 0.9007
333 MXD 0.9007
334 ZTW 0.9005
335 J6W 0.9004
336 M3W 0.9002
337 5GV 0.9001
338 EES 0.8999
339 ANF 0.8995
340 08C 0.8994
341 5AD 0.8993
342 DAH 0.8990
343 36Y 0.8990
344 STX 0.8990
345 RSV 0.8990
346 ANC 0.8989
347 39Z 0.8986
348 I3E 0.8986
349 5ZM 0.8985
350 WA1 0.8985
351 91F 0.8984
352 1SF 0.8984
353 D26 0.8983
354 DEW 0.8982
355 XYS XYS 0.8978
356 RA7 0.8978
357 TZF 0.8977
358 NYJ 0.8977
359 IAC 0.8975
360 KYN 0.8974
361 MMS 0.8972
362 JA5 0.8972
363 BIK 0.8971
364 BP7 0.8970
365 HX4 0.8969
366 6QF 0.8968
367 JVD 0.8968
368 OJD 0.8967
369 ZEC 0.8966
370 4FC 0.8964
371 SKF 0.8964
372 68A 0.8963
373 6QT 0.8962
374 4XF 0.8962
375 U13 0.8960
376 TB8 0.8960
377 PNP 0.8960
378 PPY 0.8960
379 QKU 0.8959
380 NQ7 0.8958
381 92P 0.8956
382 N4E 0.8955
383 428 0.8954
384 GOE 0.8954
385 52F 0.8954
386 P7Y 0.8953
387 PFF 0.8953
388 HPP 0.8953
389 AZM 0.8951
390 V1T 0.8950
391 M4E 0.8949
392 795 0.8948
393 BXS 0.8947
394 SLS 0.8946
395 STV 0.8946
396 15N 0.8945
397 1VK 0.8944
398 FYR 0.8943
399 DX2 0.8943
400 27F 0.8942
401 MR5 0.8941
402 RUG 0.8940
403 ZYQ 0.8939
404 HBO 0.8939
405 AA 0.8938
406 IQZ 0.8937
407 1Z6 0.8937
408 VUP 0.8934
409 4Z1 0.8934
410 E1T 0.8933
411 LGT 0.8931
412 DTY 0.8928
413 2UD 0.8927
414 C1M 0.8925
415 THA 0.8923
416 LUM 0.8920
417 3XH 0.8919
418 OA1 0.8916
419 PH3 0.8915
420 ESX 0.8914
421 80G 0.8914
422 0JD 0.8914
423 CSN 0.8914
424 VFM 0.8913
425 XIZ 0.8912
426 VGS 0.8912
427 AOT 0.8912
428 54X 0.8909
429 MR4 0.8909
430 SJK 0.8908
431 CIY 0.8906
432 JGY 0.8906
433 NIF 0.8903
434 D1G 0.8902
435 11X 0.8900
436 ZIP 0.8900
437 ZSP 0.8899
438 1F1 0.8899
439 NEO 0.8898
440 JB8 0.8898
441 EE8 0.8897
442 3C5 0.8893
443 D3G 0.8891
444 GNG 0.8890
445 LOT 0.8890
446 KYA 0.8890
447 C0V 0.8889
448 BNL 0.8889
449 EI1 0.8888
450 Z21 0.8888
451 F4K 0.8888
452 5RP 0.8886
453 XEV 0.8886
454 12T 0.8885
455 TJM 0.8884
456 549 0.8883
457 PJK 0.8883
458 V2Z 0.8881
459 JP2 0.8880
460 8V8 0.8880
461 26C 0.8880
462 VFG 0.8879
463 96Z 0.8878
464 14W 0.8877
465 6BK 0.8874
466 JAW 0.8874
467 108 0.8874
468 B21 0.8873
469 4LW 0.8871
470 MPV 0.8869
471 TIA 0.8869
472 3AK 0.8869
473 CH9 0.8868
474 IS2 0.8868
475 1ER 0.8868
476 4BF 0.8867
477 7FZ 0.8866
478 FZ0 0.8866
479 4G2 0.8865
480 4AF 0.8865
481 ESP 0.8863
482 S62 0.8863
483 TCA 0.8862
484 57D 0.8862
485 9ZE 0.8862
486 4MP 0.8862
487 5WT 0.8862
488 SZ7 0.8862
489 BZJ 0.8860
490 1Q4 0.8859
491 GO8 0.8859
492 6ZW 0.8858
493 D8Q 0.8858
494 TYL 0.8858
495 5O6 0.8856
496 XIL 0.8855
497 P9E 0.8854
498 K4V 0.8854
499 9KZ 0.8852
500 XYS XYP 0.8852
501 XYP XDN 0.8851
502 XDN XYP 0.8851
503 PJW 0.8851
504 5GT 0.8850
505 EAE 0.8848
506 HQJ 0.8848
507 3D3 0.8847
508 D9Z 0.8847
509 S0A 0.8846
510 IWT 0.8846
511 N9J 0.8845
512 0F3 0.8845
513 BIO 0.8845
514 GJP 0.8844
515 4GU 0.8843
516 CNI 0.8842
517 1HP 0.8842
518 ASE 0.8841
519 1UZ 0.8841
520 6TZ 0.8841
521 1A7 0.8840
522 1PS 0.8840
523 1V8 0.8840
524 PH2 0.8839
525 S0W 0.8838
526 A5E 0.8838
527 IIH 0.8838
528 PLP 0.8836
529 MBP 0.8836
530 60L 0.8835
531 JDN 0.8835
532 D1Y 0.8835
533 H7S 0.8833
534 Q2S 0.8833
535 H2B 0.8833
536 HBI 0.8833
537 HJ7 0.8832
538 6NT 0.8832
539 3WK 0.8831
540 8YH 0.8830
541 L15 0.8830
542 1OT 0.8828
543 JTA 0.8827
544 7ZO 0.8827
545 LVD 0.8824
546 121 0.8824
547 801 0.8824
548 RDV 0.8821
549 ICB 0.8820
550 MJW 0.8820
551 SYE 0.8819
552 KF5 0.8819
553 A98 0.8817
554 5TT 0.8815
555 5WW 0.8815
556 Z70 0.8815
557 0HN 0.8815
558 BZ2 0.8814
559 FY8 0.8813
560 LVY 0.8813
561 0GA 0.8811
562 M6Z 0.8810
563 KLV 0.8809
564 G6P 0.8809
565 GNV 0.8809
566 AJ4 0.8808
567 O9Q 0.8807
568 WCU 0.8807
569 28B 0.8805
570 PO6 0.8805
571 1L5 0.8804
572 GF4 0.8804
573 F02 0.8803
574 K82 0.8802
575 NE2 0.8802
576 GHQ 0.8801
577 1BW 0.8800
578 DFV 0.8798
579 SNU 0.8797
580 PZX 0.8797
581 97K 0.8797
582 JGB 0.8796
583 H35 0.8794
584 L5V 0.8793
585 3D1 0.8793
586 MMJ 0.8793
587 7VP 0.8793
588 4CF 0.8792
589 0RY 0.8792
590 5M2 0.8791
591 8HH 0.8791
592 SQ4 0.8789
593 0XR 0.8787
594 ZEZ 0.8786
595 GEN 0.8785
596 MAJ 0.8785
597 FWD 0.8785
598 BSU 0.8784
599 YZM 0.8779
600 GXG 0.8778
601 MFR 0.8775
602 5LA 0.8775
603 VFJ 0.8774
604 E7S 0.8774
605 HHS 0.8773
606 ESJ 0.8773
607 6L6 0.8772
608 GZV 0.8772
609 E1K 0.8772
610 EZL 0.8770
611 KTJ 0.8770
612 EVF 0.8769
613 A7K 0.8769
614 3L1 0.8768
615 5H6 0.8767
616 CKA 0.8765
617 G1L 0.8765
618 B4L 0.8765
619 X6P 0.8765
620 OUG 0.8764
621 SNV 0.8764
622 Q4G 0.8764
623 9FL 0.8764
624 N7I 0.8763
625 BZE 0.8760
626 27B 0.8759
627 SSC 0.8758
628 N9M 0.8757
629 92O 0.8755
630 NPS 0.8755
631 2ZM 0.8755
632 2K8 0.8754
633 CUQ 0.8752
634 S98 0.8752
635 PQV 0.8751
636 CTE 0.8749
637 CUE 0.8748
638 2UZ 0.8747
639 BHS 0.8746
640 2LW 0.8745
641 BA5 0.8745
642 LC1 0.8744
643 78U 0.8743
644 S0E 0.8743
645 ARG 0.8742
646 8MO 0.8741
647 ATX 0.8739
648 4RU 0.8738
649 61M 0.8738
650 YTX 0.8737
651 4FP 0.8736
652 3A9 0.8735
653 L5D 0.8735
654 3Y7 0.8735
655 E9S 0.8733
656 GXD 0.8731
657 IPO 0.8731
658 CWD 0.8730
659 R9J 0.8727
660 AP6 0.8724
661 FHC 0.8723
662 AZY 0.8723
663 CK1 0.8723
664 EQU 0.8722
665 SNJ 0.8722
666 4Z3 0.8720
667 5NI 0.8719
668 2O6 0.8719
669 KTW 0.8718
670 6NI 0.8717
671 AGI 0.8714
672 BPU 0.8714
673 RYV 0.8713
674 613 0.8713
675 LQ2 0.8713
676 6FZ 0.8712
677 TU0 0.8711
678 4NB 0.8711
679 JCQ 0.8708
680 JF5 0.8708
681 HCI 0.8707
682 KU1 0.8706
683 9R5 0.8706
684 RD4 0.8706
685 OTA 0.8701
686 EST 0.8700
687 HL4 0.8700
688 0F9 0.8699
689 HA5 0.8699
690 0HO 0.8699
691 N2M 0.8699
692 0OY 0.8698
693 HJH 0.8697
694 OW7 0.8696
695 6Q3 0.8695
696 N3W 0.8694
697 A6P 0.8691
698 O9T 0.8689
699 36E 0.8689
700 X6W 0.8689
701 FBC 0.8687
702 AAN 0.8686
703 3XR 0.8686
704 FMQ 0.8685
705 Q9T 0.8683
706 0FK 0.8680
707 ONR 0.8680
708 120 0.8679
709 PCQ 0.8677
710 DNA 0.8676
711 30G 0.8675
712 O9Z 0.8670
713 OUA 0.8668
714 A8D 0.8668
715 IQ5 0.8667
716 122 0.8667
717 0DJ 0.8665
718 RNO 0.8665
719 H5B 0.8663
720 BL0 0.8663
721 SQM 0.8662
722 8M5 0.8661
723 F5C 0.8660
724 PTB 0.8659
725 FBF 0.8659
726 GLP 0.8659
727 3NY 0.8656
728 S8G 0.8651
729 W29 0.8650
730 PHI 0.8650
731 BIH 0.8650
732 A29 0.8648
733 SU9 0.8646
734 8ZE 0.8645
735 X04 0.8644
736 CR4 0.8644
737 BMZ 0.8644
738 SJR 0.8642
739 1KN 0.8639
740 MZM 0.8638
741 EVO 0.8638
742 BG6 0.8636
743 SNO 0.8636
744 AES 0.8632
745 AHN 0.8630
746 5CQ 0.8630
747 245 0.8629
748 U55 0.8629
749 6VW 0.8629
750 J3Z 0.8627
751 WVV 0.8627
752 RP3 0.8624
753 NDG 0.8621
754 COL 0.8620
755 ESI 0.8617
756 7QD 0.8616
757 K80 0.8615
758 1HR 0.8615
759 6J9 0.8614
760 4L2 0.8614
761 BJ4 0.8614
762 M3F 0.8613
763 4NZ 0.8611
764 NWD 0.8610
765 PMP 0.8610
766 Q5M 0.8610
767 7LU 0.8610
768 BY5 0.8608
769 SGW 0.8607
770 F1X 0.8605
771 LU2 0.8605
772 PIQ 0.8602
773 9FE 0.8600
774 RYY 0.8599
775 DBS 0.8597
776 AVO 0.8596
777 FMH 0.8596
778 5XL 0.8595
779 O53 0.8590
780 Q0K 0.8590
781 OSY 0.8590
782 1UT 0.8588
783 AXX 0.8586
784 QMS 0.8580
785 0MB 0.8578
786 VXX 0.8577
787 BVA 0.8577
788 8G6 0.8575
789 JRB 0.8574
790 97T 0.8573
791 OPA 0.8572
792 SX2 0.8571
793 1Q2 0.8567
794 GNM 0.8566
795 NGA 0.8563
796 ISC 0.8563
797 NU3 0.8563
798 LR5 0.8563
799 135 0.8561
800 OOG 0.8557
801 CG 0.8552
802 UAY 0.8551
803 ABI 0.8548
804 22T 0.8543
805 J9Q 0.8536
806 124 0.8532
807 B5A 0.8526
808 1R5 0.8520
809 PHE 0.8515
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
APoc FAQ
Feedback