Receptor
PDB id Resolution Class Description Source Keywords
6QOO 1.94 Å EC: 2.1.1.228 CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH FRAGMENT 18 (ISOXAZC ARBOTHIOAMIDE) 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
JAB B:301;
A:301;
 Valid;
Valid;
 none;
none;
 submit data
128.152 C4 H4 N2 O S c1cno...
SO4 B:302;
 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: JAB; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 JAB 1 1
2 JBN 0.586207 0.722222
Similar Ligands (3D)
Ligand no: 1; Ligand: JAB; Similar ligands found: 677
No: Ligand Similarity coefficient
1 FOA 1.0000
2 PRO 1.0000
3 PYC 0.9987
4 TZC 0.9959
5 265 0.9944
6 TP5 0.9917
7 SMV 0.9901
8 273 0.9868
9 2PC 0.9840
10 BEZ 0.9834
11 PBC 0.9825
12 BEN 0.9819
13 IT2 0.9813
14 C21 0.9810
15 1DU 0.9788
16 BAM 0.9786
17 NCA 0.9763
18 NTN 0.9755
19 YCP 0.9753
20 M58 0.9734
21 NBZ 0.9733
22 6PC 0.9724
23 PZA 0.9721
24 VGL 0.9718
25 NIO 0.9715
26 BE7 0.9666
27 UNU 0.9665
28 SS1 0.9655
29 XBT 0.9651
30 JZ5 0.9639
31 TFB 0.9638
32 SS2 0.9632
33 QSC 0.9630
34 MZ0 0.9629
35 RSF 0.9621
36 AC0 0.9603
37 5AC 0.9588
38 MLA 0.9587
39 3HL 0.9583
40 J1Z 0.9573
41 NVI 0.9568
42 HSM 0.9548
43 DMG 0.9541
44 282 0.9540
45 MLI 0.9538
46 HY3 0.9526
47 KIV 0.9516
48 OXQ 0.9506
49 SYN 0.9505
50 PY7 0.9497
51 GAG 0.9495
52 C5J 0.9476
53 DPR 0.9462
54 14J 0.9461
55 BNS 0.9457
56 0CT 0.9451
57 BVG 0.9449
58 1PT 0.9444
59 3ZQ 0.9442
60 OAA 0.9440
61 ZBT 0.9437
62 DEN 0.9425
63 IND 0.9422
64 BZI 0.9421
65 ABN 0.9414
66 BZF 0.9413
67 HBX 0.9409
68 4JP 0.9408
69 54D 0.9397
70 IHG 0.9394
71 UY7 0.9390
72 LZ1 0.9390
73 60P 0.9386
74 MPI 0.9386
75 2EZ 0.9378
76 PYJ 0.9376
77 DTL 0.9374
78 BVC 0.9371
79 OXE 0.9366
80 0R1 0.9365
81 PRS 0.9364
82 GBD 0.9363
83 SVN 0.9354
84 6M9 0.9353
85 GVH 0.9347
86 BEW 0.9347
87 MAK 0.9346
88 HY1 0.9341
89 3PY 0.9339
90 1DQ 0.9332
91 CAQ 0.9330
92 AMC 0.9327
93 FPI 0.9326
94 9CL 0.9325
95 P2D 0.9322
96 NBE 0.9318
97 PYF 0.9316
98 AAE 0.9316
99 HVQ 0.9315
100 9EW 0.9311
101 6M4 0.9307
102 F05 0.9304
103 FAN 0.9300
104 MLT 0.9299
105 HX2 0.9298
106 MLM 0.9298
107 IDM 0.9286
108 HLR 0.9286
109 JZ9 0.9280
110 TH0 0.9278
111 HYP 0.9269
112 UGC 0.9262
113 5MH 0.9262
114 2YU 0.9257
115 MZW 0.9256
116 JBE 0.9251
117 HIU 0.9250
118 HDA 0.9250
119 FQI 0.9249
120 TDR 0.9246
121 BHO 0.9245
122 2KT 0.9244
123 4JO 0.9243
124 MWM 0.9235
125 2CQ 0.9235
126 40O 0.9233
127 5UC 0.9232
128 KG7 0.9231
129 MCT 0.9229
130 1MC 0.9222
131 URF 0.9221
132 T2C 0.9221
133 IVA 0.9220
134 HSE 0.9217
135 275 0.9214
136 FEH 0.9213
137 MXN 0.9213
138 AHR 0.9212
139 MNN 0.9212
140 SER 0.9208
141 43M 0.9207
142 WBU 0.9202
143 YAN 0.9201
144 4ZE 0.9200
145 2CH 0.9199
146 TZL 0.9198
147 4CS 0.9197
148 RCO 0.9196
149 BP9 0.9195
150 ISZ 0.9194
151 1MR 0.9190
152 5H1 0.9190
153 XBZ 0.9190
154 A2Q 0.9188
155 5MI 0.9188
156 2MH 0.9187
157 L89 0.9185
158 CFI 0.9184
159 SAL 0.9182
160 1WD 0.9181
161 4JU 0.9178
162 NMJ 0.9177
163 ASP 0.9176
164 2K4 0.9175
165 QUZ 0.9175
166 NPO 0.9174
167 4SV 0.9173
168 7WV 0.9173
169 34A 0.9171
170 SIN 0.9166
171 APY 0.9164
172 6AI 0.9163
173 MPD 0.9162
174 938 0.9161
175 F60 0.9160
176 CP 0.9159
177 3CH 0.9157
178 PCA 0.9154
179 BE2 0.9153
180 7CZ 0.9151
181 OHG 0.9149
182 4HO 0.9147
183 BZX 0.9146
184 8GC 0.9145
185 284 0.9144
186 TM7 0.9143
187 Z82 0.9140
188 HT4 0.9140
189 VAL 0.9139
190 FB2 0.9139
191 AX7 0.9139
192 280 0.9138
193 270 0.9137
194 2AF 0.9136
195 PHB 0.9136
196 3HR 0.9135
197 NPY 0.9133
198 14O 0.9132
199 FUM 0.9132
200 JZ0 0.9132
201 FK1 0.9125
202 3U4 0.9125
203 11S 0.9124
204 A1U 0.9124
205 LXC 0.9124
206 51F 0.9123
207 MAE 0.9121
208 GAB 0.9119
209 0RW 0.9116
210 MRZ 0.9116
211 HTS 0.9116
212 CRS 0.9115
213 1AN 0.9115
214 ES6 0.9113
215 XM0 0.9112
216 150 0.9111
217 8LG 0.9111
218 23W 0.9110
219 PAE 0.9109
220 2MP 0.9109
221 XYP 0.9108
222 3NT 0.9106
223 PLQ 0.9105
224 45C 0.9104
225 H4N 0.9104
226 1WG 0.9103
227 XYD 0.9103
228 CYT 0.9102
229 CYS 0.9102
230 BUA 0.9101
231 E60 0.9100
232 URA 0.9099
233 PMB 0.9099
234 ICP 0.9098
235 PYD 0.9098
236 5HN 0.9098
237 93Q 0.9097
238 TLD 0.9097
239 RSO 0.9096
240 MZG 0.9095
241 LG5 0.9095
242 JKE 0.9095
243 IPH 0.9094
244 7WG 0.9093
245 FP2 0.9092
246 5MB 0.9092
247 OVV 0.9090
248 S0H 0.9090
249 174 0.9089
250 IQ0 0.9089
251 BRT 0.9088
252 0TR 0.9087
253 MBN 0.9086
254 PCR 0.9083
255 PAB 0.9083
256 HBD 0.9081
257 OXL 0.9081
258 THR 0.9080
259 LG3 0.9079
260 TAR 0.9079
261 40E 0.9077
262 HBA 0.9077
263 ES9 0.9077
264 PRI 0.9076
265 HGQ 0.9075
266 PEA 0.9075
267 HQE 0.9075
268 DYA 0.9075
269 92Z 0.9074
270 1DJ 0.9073
271 LMR 0.9070
272 GXE 0.9068
273 WCE 0.9067
274 WOT 0.9066
275 3AP 0.9066
276 5JC 0.9065
277 1DW 0.9064
278 1Y6 0.9064
279 BVF 0.9064
280 24T 0.9063
281 UYA 0.9062
282 NK 0.9060
283 NIZ 0.9059
284 3BZ 0.9059
285 THE 0.9059
286 285 0.9057
287 OK7 0.9056
288 826 0.9055
289 DXX 0.9055
290 6X8 0.9053
291 26D 0.9052
292 76X 0.9051
293 M3T 0.9049
294 HRZ 0.9047
295 BML 0.9047
296 SW7 0.9046
297 9PO 0.9045
298 DSN 0.9045
299 3HB 0.9044
300 LGA 0.9043
301 LG4 0.9042
302 4AP 0.9041
303 IUR 0.9040
304 2CK 0.9040
305 TPA 0.9040
306 4JJ 0.9039
307 FPN 0.9038
308 2AC 0.9038
309 P72 0.9038
310 2AP 0.9037
311 PBZ 0.9033
312 8NY 0.9032
313 ABU 0.9032
314 I1E 0.9031
315 ADE 0.9030
316 2IM 0.9026
317 PIH 0.9026
318 TH7 0.9025
319 CEJ 0.9023
320 HVK 0.9022
321 M6W 0.9022
322 0R0 0.9020
323 3AB 0.9020
324 HPA 0.9018
325 CSS 0.9018
326 SAT 0.9017
327 ABV 0.9017
328 DA1 0.9015
329 HZP 0.9012
330 4HS 0.9011
331 B3R 0.9011
332 JZ3 0.9010
333 4XX 0.9009
334 K34 0.9008
335 JAE 0.9008
336 ALO 0.9007
337 HEW 0.9006
338 MWJ 0.9006
339 4MA 0.9006
340 53C 0.9002
341 PKU 0.9001
342 1DV 0.9001
343 SWD 0.9000
344 IDH 0.8998
345 KYD 0.8998
346 DUC 0.8997
347 DGY 0.8996
348 4CH 0.8995
349 F9P 0.8994
350 P92 0.8992
351 BAL 0.8991
352 H3M 0.8991
353 DMD 0.8989
354 4CL 0.8988
355 MSF 0.8987
356 MMZ 0.8987
357 JZ2 0.8985
358 HHQ 0.8985
359 V1L 0.8985
360 PM6 0.8981
361 ILE 0.8980
362 4MZ 0.8978
363 5MP 0.8978
364 8CL 0.8977
365 FLA 0.8976
366 IOL 0.8975
367 MRY 0.8973
368 8GF 0.8970
369 QWN 0.8963
370 XRG 0.8961
371 QOS 0.8961
372 HHN 0.8958
373 FBJ 0.8958
374 HYN 0.8956
375 PYR 0.8956
376 2MZ 0.8955
377 JZ6 0.8953
378 QXW 0.8953
379 FBM 0.8953
380 SSN 0.8953
381 XUL 0.8949
382 7VD 0.8949
383 HCS 0.8949
384 3ID 0.8949
385 4H2 0.8948
386 LEU 0.8947
387 OXD 0.8944
388 FPY 0.8940
389 2RA 0.8939
390 AC5 0.8938
391 10L 0.8937
392 278 0.8935
393 9DA 0.8935
394 RM1 0.8934
395 4VP 0.8933
396 4JN 0.8933
397 CIG 0.8932
398 JZ7 0.8932
399 27Y 0.8930
400 TZE 0.8929
401 25R 0.8928
402 1MZ 0.8928
403 B24 0.8924
404 TMZ 0.8924
405 69O 0.8921
406 7HP 0.8919
407 1DH 0.8916
408 PYZ 0.8913
409 7WA 0.8913
410 HGY 0.8908
411 5KX 0.8907
412 AC6 0.8905
413 8H8 0.8905
414 IPU 0.8904
415 25T 0.8904
416 BYZ 0.8902
417 KKN 0.8900
418 9HX 0.8900
419 ABA 0.8897
420 5WV 0.8895
421 6MP 0.8893
422 173 0.8891
423 TEO 0.8890
424 SAR 0.8890
425 PXY 0.8890
426 3TR 0.8889
427 R8A 0.8888
428 OXM 0.8888
429 PZI 0.8887
430 FYU 0.8887
431 XIX 0.8885
432 SPA 0.8885
433 ES3 0.8881
434 3SK 0.8877
435 FUL 0.8877
436 M4T 0.8876
437 9X7 0.8876
438 HMH 0.8876
439 7B4 0.8875
440 BR9 0.8874
441 TTO 0.8873
442 TC7 0.8873
443 7W4 0.8870
444 LDU 0.8870
445 ISN 0.8866
446 COI 0.8865
447 Y8I 0.8864
448 BP1 0.8862
449 VAH 0.8860
450 2MI 0.8860
451 MR3 0.8858
452 VNJ 0.8857
453 EGD 0.8856
454 F4Z 0.8854
455 BXO 0.8853
456 HOW 0.8853
457 1P7 0.8851
458 2AI 0.8851
459 SRT 0.8850
460 CXF 0.8850
461 286 0.8847
462 PHU 0.8845
463 ES7 0.8845
464 ASN 0.8844
465 ZZT 0.8844
466 L60 0.8844
467 PYM 0.8842
468 LER 0.8841
469 NMG 0.8837
470 GYE 0.8830
471 HAI 0.8826
472 HGW 0.8825
473 4XH 0.8823
474 2RH 0.8821
475 H42 0.8821
476 4JM 0.8820
477 MZY 0.8819
478 5B1 0.8818
479 ES4 0.8817
480 I3A 0.8816
481 1P3 0.8815
482 L3Q 0.8814
483 DBB 0.8810
484 717 0.8808
485 0MK 0.8806
486 3MT 0.8806
487 BTE 0.8806
488 RIP 0.8804
489 TMT 0.8803
490 XQ0 0.8802
491 BAQ 0.8801
492 HH8 0.8801
493 FBA 0.8798
494 MB3 0.8798
495 BU4 0.8798
496 COU 0.8797
497 OPE 0.8795
498 4MV 0.8795
499 1SA 0.8793
500 MBD 0.8792
501 GOJ 0.8791
502 TB6 0.8790
503 ADZ 0.8790
504 PYG 0.8788
505 RMN 0.8787
506 PEP 0.8786
507 EQT 0.8785
508 JB5 0.8783
509 1SQ 0.8782
510 N5J 0.8780
511 3BB 0.8780
512 ITU 0.8780
513 8OZ 0.8779
514 2AQ 0.8777
515 5Q0 0.8776
516 5IQ 0.8775
517 3OH 0.8775
518 7N0 0.8774
519 AMT 0.8773
520 5SG 0.8770
521 PBE 0.8768
522 DCY 0.8768
523 DFU 0.8768
524 1LQ 0.8765
525 HSO 0.8765
526 O72 0.8764
527 BZ3 0.8763
528 03V 0.8760
529 LEA 0.8758
530 5VM 0.8758
531 PAF 0.8756
532 03W 0.8752
533 ET2 0.8752
534 3SS 0.8752
535 RHU 0.8751
536 HQY 0.8749
537 M2H 0.8748
538 4ZC 0.8747
539 IZC 0.8745
540 7HQ 0.8744
541 4NC 0.8744
542 DBH 0.8743
543 H95 0.8742
544 47J 0.8742
545 1LM 0.8742
546 JBH 0.8742
547 1NP 0.8741
548 JPZ 0.8738
549 4YS 0.8738
550 24B 0.8738
551 MMU 0.8737
552 24W 0.8732
553 PAC 0.8731
554 ES1 0.8730
555 ES0 0.8730
556 4FS 0.8730
557 5OB 0.8728
558 3HA 0.8725
559 42A 0.8724
560 Q88 0.8723
561 ATQ 0.8723
562 MTG 0.8720
563 ES5 0.8720
564 VGD 0.8718
565 C2N 0.8717
566 3F0 0.8716
567 HIO 0.8715
568 LZM 0.8715
569 KOJ 0.8714
570 H8N 0.8711
571 BMD 0.8709
572 BCP 0.8709
573 SLP 0.8708
574 39J 0.8707
575 MEU 0.8706
576 DQY 0.8706
577 6MH 0.8705
578 7MU 0.8702
579 TM4 0.8702
580 OCH 0.8701
581 GJZ 0.8700
582 3M0 0.8700
583 M1A 0.8700
584 1AC 0.8698
585 DHB 0.8695
586 4JT 0.8695
587 3FA 0.8693
588 CLW 0.8693
589 JBK 0.8692
590 CWM 0.8691
591 5RG 0.8690
592 DTI 0.8688
593 NSP 0.8687
594 ITN 0.8683
595 3MC 0.8683
596 AOA 0.8683
597 3HM 0.8682
598 AL0 0.8682
599 GUN 0.8678
600 3OC 0.8678
601 XLS 0.8678
602 J9T 0.8670
603 36R 0.8668
604 PCT 0.8668
605 8K2 0.8668
606 A8C 0.8666
607 TSU 0.8666
608 2C9 0.8665
609 HDH 0.8663
610 HUI 0.8663
611 GMN 0.8662
612 1XN 0.8661
613 5NU 0.8661
614 XCZ 0.8659
615 9DG 0.8657
616 DX4 0.8657
617 FBV 0.8652
618 INO 0.8649
619 GLY ALA 0.8648
620 DAB 0.8646
621 NNO 0.8639
622 93K 0.8636
623 4A3 0.8635
624 FLM 0.8635
625 DHR 0.8634
626 2HO 0.8633
627 DMI 0.8630
628 FP1 0.8629
629 FHB 0.8628
630 1P8 0.8628
631 JZ1 0.8628
632 P9P 0.8627
633 6GU 0.8627
634 YH7 0.8624
635 FA0 0.8623
636 XAN 0.8622
637 GTQ 0.8621
638 JLZ 0.8620
639 3XX 0.8619
640 6AP 0.8619
641 HMU 0.8616
642 2ZV 0.8614
643 5CU 0.8613
644 MYJ 0.8612
645 QSB 0.8611
646 6F0 0.8609
647 4P5 0.8607
648 51R 0.8605
649 GRE 0.8602
650 9TW 0.8601
651 FB1 0.8596
652 DOB 0.8593
653 ES2 0.8591
654 6M1 0.8589
655 AZA 0.8586
656 I2M 0.8583
657 290 0.8580
658 FFP 0.8579
659 67N 0.8575
660 4M0 0.8575
661 OXC 0.8574
662 CHB 0.8573
663 5Y9 0.8571
664 5M0 0.8569
665 LLQ 0.8569
666 3CE 0.8560
667 54G 0.8553
668 23A 0.8553
669 IHB 0.8552
670 IGA 0.8551
671 NXA 0.8549
672 F5B 0.8545
673 BUB 0.8545
674 AZG 0.8540
675 SGL 0.8526
676 K2T 0.8514
677 FBB 0.8502
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