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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
6QOG	1.55 Å	EC: 2.1.1.228	CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH FRAGMENT 10 (2-AMINB ROMOBENZOTHIAZOLE)	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
JA8	A:301;	Valid;	none;	submit data		229.097	C7 H5 Br N2 S	c1cc2...

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: JA8; Similar ligands found: 2

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	JA8	1	1
2	ABV	0.4	0.875

Similar Ligands (3D)

Ligand no: 1; Ligand: JA8; Similar ligands found: 943

No:	Ligand	Similarity coefficient
1	1P8	0.9963
2	VGD	0.9961
3	ES2	0.9947
4	36R	0.9868
5	5VM	0.9867
6	CLW	0.9862
7	KJU	0.9769
8	5GU	0.9706
9	IV2	0.9649
10	XAZ	0.9648
11	J6W	0.9639
12	11S	0.9619
13	FK1	0.9613
14	ES9	0.9603
15	H4N	0.9582
16	H42	0.9568
17	6RQ	0.9568
18	5JL	0.9565
19	2HQ	0.9559
20	AX7	0.9554
21	URC	0.9554
22	03V	0.9545
23	5JQ	0.9542
24	SYV	0.9535
25	8NY	0.9534
26	COU	0.9530
27	P92	0.9524
28	14O	0.9520
29	JB5	0.9519
30	2AQ	0.9511
31	6AI	0.9510
32	ES5	0.9507
33	5MB	0.9507
34	5XC	0.9507
35	5MI	0.9505
36	4FS	0.9503
37	E7S	0.9498
38	PKU	0.9497
39	270	0.9494
40	OCH	0.9490
41	5OB	0.9489
42	2MI	0.9485
43	A29	0.9482
44	ODO	0.9471
45	8TX	0.9470
46	DMD	0.9468
47	1P7	0.9467
48	DHR	0.9466
49	7MU	0.9465
50	HDH	0.9462
51	4FA	0.9462
52	MR1	0.9458
53	RM1	0.9457
54	XIY	0.9457
55	KKN	0.9444
56	M6N	0.9441
57	CWJ	0.9440
58	JLZ	0.9432
59	8WO	0.9428
60	4YO	0.9427
61	NPO	0.9425
62	QWN	0.9419
63	8ZE	0.9416
64	ES7	0.9415
65	94W	0.9410
66	OTR	0.9409
67	PHB	0.9407
68	1PT	0.9407
69	PNZ	0.9405
70	1M2	0.9405
71	F9Y	0.9405
72	ISN	0.9403
73	SKA	0.9402
74	BZ3	0.9401
75	GLC	0.9398
76	JAE	0.9398
77	2BG	0.9393
78	ANN	0.9380
79	AHR	0.9376
80	4HM	0.9369
81	WCE	0.9366
82	AEF	0.9361
83	5H1	0.9360
84	5B1	0.9359
85	PBZ	0.9359
86	7W4	0.9359
87	JFJ	0.9357
88	HQJ	0.9355
89	1Y6	0.9350
90	AC6	0.9348
91	KDV	0.9347
92	F60	0.9346
93	86J	0.9346
94	2K4	0.9345
95	BZX	0.9344
96	NPY	0.9344
97	MRW	0.9342
98	6M9	0.9342
99	15E	0.9341
100	J9Q	0.9341
101	HBD	0.9341
102	4MU	0.9337
103	4CS	0.9337
104	QUZ	0.9336
105	PAB	0.9335
106	E5X	0.9333
107	QXW	0.9332
108	3NT	0.9331
109	KUF	0.9331
110	MS9	0.9330
111	DIN	0.9327
112	174	0.9326
113	INO	0.9326
114	GAB	0.9323
115	YRL	0.9323
116	4MA	0.9322
117	CWS	0.9321
118	XQ0	0.9312
119	Z82	0.9311
120	AZ8	0.9311
121	I3A	0.9311
122	K2T	0.9311
123	FUD	0.9309
124	NMJ	0.9308
125	826	0.9302
126	3HM	0.9302
127	FBB	0.9301
128	6NT	0.9296
129	XM0	0.9295
130	9FL	0.9292
131	GTQ	0.9292
132	TTL	0.9292
133	CWM	0.9290
134	4BZ	0.9290
135	12Q	0.9289
136	BOA	0.9289
137	PXL	0.9288
138	97T	0.9287
139	OVV	0.9286
140	CFI	0.9282
141	717	0.9282
142	5QY	0.9281
143	N2I	0.9280
144	I1E	0.9279
145	OVM	0.9278
146	3HB	0.9278
147	173	0.9277
148	HMH	0.9277
149	8GC	0.9276
150	3PF	0.9275
151	4JT	0.9274
152	BRT	0.9273
153	NNO	0.9273
154	3MB	0.9270
155	OW4	0.9266
156	0HO	0.9265
157	NOJ	0.9264
158	6VD	0.9264
159	3HA	0.9264
160	P72	0.9261
161	KJH	0.9261
162	1F1	0.9260
163	Q88	0.9260
164	5WV	0.9260
165	5RG	0.9258
166	HBA	0.9256
167	KOJ	0.9253
168	2FY	0.9252
169	7W1	0.9252
170	2D0	0.9250
171	B55	0.9250
172	3ZB	0.9246
173	1DW	0.9244
174	PEA	0.9243
175	2ZM	0.9240
176	3DM	0.9240
177	CTL	0.9240
178	ES0	0.9239
179	2HU	0.9237
180	7HQ	0.9236
181	L5V	0.9236
182	0HN	0.9236
183	2CK	0.9235
184	3F0	0.9233
185	HC4	0.9233
186	6KT	0.9232
187	D48	0.9232
188	AZA	0.9231
189	BHA	0.9228
190	FYU	0.9227
191	4BL	0.9226
192	4BY	0.9224
193	5NI	0.9224
194	BGC	0.9223
195	TSS	0.9223
196	BCP	0.9223
197	3OC	0.9222
198	A7W	0.9221
199	G3E	0.9220
200	0P6	0.9220
201	XAN	0.9219
202	9CA	0.9219
203	SX1	0.9218
204	UNJ	0.9218
205	HQT	0.9216
206	54G	0.9213
207	6TZ	0.9212
208	5HN	0.9212
209	4NM	0.9211
210	6NI	0.9210
211	6M4	0.9210
212	R9Y	0.9209
213	R8S	0.9207
214	XBT	0.9206
215	F4E	0.9206
216	TH7	0.9204
217	6CS	0.9204
218	3M0	0.9201
219	5M0	0.9199
220	4XR	0.9198
221	0JD	0.9197
222	DOB	0.9197
223	MQN	0.9196
224	LZM	0.9194
225	BSX	0.9192
226	BEZ	0.9192
227	DEN	0.9192
228	EUG	0.9192
229	XRG	0.9191
230	259	0.9190
231	BAM	0.9189
232	A2F	0.9188
233	5MK	0.9187
234	M2K	0.9184
235	6PC	0.9183
236	0CU	0.9182
237	4WL	0.9182
238	DBH	0.9181
239	2HO	0.9181
240	4ZC	0.9179
241	14J	0.9179
242	BEN	0.9178
243	9TZ	0.9178
244	3NY	0.9177
245	P9P	0.9175
246	3BZ	0.9175
247	FQI	0.9175
248	4JM	0.9174
249	SW7	0.9173
250	JAW	0.9169
251	MUA	0.9168
252	BZ2	0.9167
253	4JQ	0.9167
254	3A9	0.9167
255	4P5	0.9167
256	67N	0.9166
257	TPA	0.9165
258	ET2	0.9163
259	15N	0.9162
260	1IT	0.9161
261	DHB	0.9160
262	3Z8	0.9160
263	ISZ	0.9157
264	4VP	0.9157
265	GOJ	0.9156
266	IND	0.9155
267	82I	0.9155
268	0TU	0.9155
269	3AB	0.9153
270	24W	0.9153
271	5QX	0.9152
272	LT2	0.9152
273	FA0	0.9151
274	9R5	0.9150
275	K34	0.9150
276	NIZ	0.9149
277	BZI	0.9148
278	SE2	0.9147
279	0F9	0.9142
280	OVP	0.9141
281	4A3	0.9140
282	141	0.9138
283	4NC	0.9138
284	4ZA	0.9137
285	ESP	0.9136
286	N8Y	0.9135
287	MLT	0.9134
288	428	0.9134
289	BHO	0.9134
290	LZ1	0.9134
291	FHB	0.9134
292	J9N	0.9133
293	GCS	0.9133
294	FAN	0.9132
295	GZL	0.9131
296	8CM	0.9131
297	F81	0.9131
298	J5I	0.9129
299	5RN	0.9129
300	R20	0.9128
301	BZF	0.9128
302	PHU	0.9124
303	YCP	0.9124
304	NBZ	0.9121
305	B57	0.9121
306	N5J	0.9118
307	NDH	0.9117
308	OAA	0.9116
309	5NU	0.9115
310	M1H	0.9115
311	JBK	0.9114
312	5Q0	0.9113
313	8OZ	0.9112
314	8IG	0.9111
315	J9W	0.9110
316	5SG	0.9109
317	5IQ	0.9108
318	R8V	0.9108
319	NCA	0.9105
320	3ID	0.9105
321	MYJ	0.9104
322	QSB	0.9104
323	NIO	0.9103
324	2EC	0.9102
325	QBK	0.9101
326	HX3	0.9101
327	1AL	0.9100
328	EN1	0.9100
329	6FZ	0.9100
330	2AK	0.9099
331	SRO	0.9097
332	M0Q	0.9094
333	ABI	0.9093
334	BE2	0.9093
335	M4T	0.9092
336	BTY	0.9091
337	4ME	0.9090
338	ZBT	0.9089
339	3R6	0.9089
340	IDM	0.9089
341	ICB	0.9087
342	4M0	0.9087
343	52C	0.9087
344	IHB	0.9086
345	TIU	0.9085
346	AJ2	0.9085
347	UNU	0.9085
348	MPI	0.9085
349	0R1	0.9084
350	2AL	0.9084
351	4HC	0.9084
352	HIS	0.9084
353	0CT	0.9082
354	XX2	0.9082
355	42J	0.9082
356	GAL	0.9081
357	1A7	0.9080
358	5LA	0.9078
359	PBC	0.9078
360	4TU	0.9077
361	ESX	0.9077
362	PZI	0.9073
363	8WT	0.9073
364	ICO	0.9070
365	BPN	0.9070
366	7B4	0.9068
367	JB8	0.9067
368	4VY	0.9066
369	AZ9	0.9065
370	VNL	0.9064
371	93K	0.9064
372	H4E	0.9063
373	5CU	0.9060
374	RD4	0.9059
375	DBX	0.9057
376	RSO	0.9057
377	E1T	0.9055
378	PIM	0.9054
379	F0J	0.9053
380	8NX	0.9053
381	M1Q	0.9053
382	MSR	0.9050
383	CPZ	0.9050
384	YPN	0.9047
385	CHB	0.9047
386	KT7	0.9047
387	7ME	0.9047
388	MEW	0.9046
389	BEA	0.9046
390	PZA	0.9046
391	PIY	0.9046
392	6GU	0.9045
393	PQ0	0.9043
394	CFP	0.9039
395	AC0	0.9039
396	L99	0.9039
397	NAG	0.9039
398	RB5	0.9037
399	FBM	0.9037
400	SAL	0.9035
401	2FQ	0.9028
402	92P	0.9026
403	M5K	0.9026
404	6AP	0.9026
405	TGX	0.9026
406	SNO	0.9023
407	F05	0.9022
408	463	0.9022
409	V55	0.9020
410	NTN	0.9019
411	JPZ	0.9018
412	9EW	0.9017
413	TYL	0.9017
414	9TW	0.9017
415	M4E	0.9017
416	2LY	0.9017
417	DGJ	0.9013
418	ADZ	0.9010
419	FP1	0.9008
420	DIU	0.9007
421	1LM	0.9007
422	42A	0.9007
423	XQG	0.9006
424	M1A	0.9006
425	VGL	0.9005
426	AMH	0.9005
427	Q24	0.9004
428	NCT	0.9002
429	ADE	0.9002
430	JZ3	0.9001
431	8W9	0.9001
432	45L	0.8998
433	PBA	0.8998
434	SS1	0.8998
435	JBH	0.8997
436	HLR	0.8995
437	DE5	0.8993
438	PE0	0.8993
439	1LQ	0.8991
440	BE7	0.8990
441	NSP	0.8989
442	SAN	0.8988
443	9ZE	0.8985
444	92K	0.8985
445	0FO	0.8984
446	GIF	0.8984
447	TWO	0.8983
448	RMN	0.8981
449	AGK	0.8979
450	PEY	0.8979
451	SN4	0.8979
452	3U4	0.8978
453	HMU	0.8978
454	FRU	0.8978
455	XYL	0.8977
456	SLS	0.8976
457	IFL	0.8975
458	2A9	0.8975
459	DYA	0.8973
460	B53	0.8972
461	2F6	0.8971
462	ES1	0.8971
463	HA5	0.8971
464	AKG	0.8971
465	SNU	0.8970
466	8NB	0.8969
467	4JP	0.8969
468	4SV	0.8968
469	1SQ	0.8966
470	SVN	0.8965
471	261	0.8963
472	HQY	0.8963
473	9DG	0.8962
474	JKE	0.8961
475	AQO	0.8959
476	AN3	0.8958
477	IAC	0.8956
478	4JL	0.8955
479	0RW	0.8955
480	DX4	0.8953
481	HH5	0.8950
482	LDP	0.8950
483	1XM	0.8949
484	PD2	0.8949
485	37T	0.8948
486	GUN	0.8948
487	HPA	0.8945
488	3FH	0.8944
489	QWW	0.8943
490	C2B	0.8943
491	CXF	0.8941
492	4XH	0.8941
493	4NB	0.8941
494	LQ2	0.8941
495	TZF	0.8940
496	PAC	0.8940
497	2CQ	0.8940
498	7MX	0.8937
499	FBA	0.8934
500	UNC	0.8933
501	1P3	0.8933
502	SWA	0.8933
503	JBE	0.8932
504	O72	0.8931
505	HHA	0.8931
506	IF7	0.8931
507	NOY	0.8931
508	I3E	0.8929
509	PDC	0.8929
510	0W8	0.8928
511	ES6	0.8927
512	ICP	0.8927
513	N3W	0.8925
514	1NP	0.8925
515	OK7	0.8925
516	5RO	0.8925
517	FCR	0.8925
518	DRL	0.8921
519	TSU	0.8920
520	AZG	0.8919
521	1MC	0.8918
522	K32	0.8918
523	HH8	0.8918
524	FHC	0.8917
525	FDB	0.8917
526	RNO	0.8917
527	TH0	0.8917
528	EA1	0.8916
529	0BP	0.8916
530	IGA	0.8915
531	C2U	0.8914
532	4JC	0.8914
533	ONR	0.8914
534	GO2	0.8913
535	DNF	0.8911
536	8H8	0.8910
537	3BU	0.8910
538	GF4	0.8909
539	GVH	0.8909
540	209	0.8909
541	YH7	0.8907
542	APZ	0.8907
543	SHA	0.8906
544	4AA	0.8906
545	RBL	0.8906
546	SR1	0.8905
547	IUR	0.8905
548	X0U	0.8904
549	30G	0.8901
550	BDP	0.8900
551	4YS	0.8898
552	24B	0.8896
553	ZYR	0.8896
554	10L	0.8896
555	VK3	0.8894
556	KTA	0.8893
557	BZJ	0.8893
558	M4S	0.8893
559	HQD	0.8893
560	H8N	0.8891
561	QSC	0.8890
562	K22	0.8890
563	7NI	0.8889
564	HX4	0.8889
565	BNL	0.8887
566	URF	0.8886
567	TT4	0.8885
568	P9E	0.8885
569	0R0	0.8885
570	E7Z	0.8884
571	MWP	0.8884
572	F9P	0.8883
573	INE	0.8883
574	DEE	0.8883
575	PJW	0.8881
576	3WA	0.8880
577	JZ9	0.8879
578	FBW	0.8879
579	G2F	0.8879
580	27B	0.8879
581	150	0.8878
582	HBX	0.8878
583	AL0	0.8877
584	HSO	0.8877
585	PYD	0.8877
586	XBZ	0.8877
587	Z5P	0.8876
588	9FE	0.8875
589	GJP	0.8875
590	M58	0.8875
591	75K	0.8875
592	ASO	0.8874
593	HSM	0.8873
594	1KP	0.8872
595	SOE	0.8871
596	W81	0.8870
597	C2A	0.8870
598	PZM	0.8869
599	36M	0.8868
600	2HC	0.8868
601	6MP	0.8868
602	JBQ	0.8866
603	SKM	0.8866
604	4I8	0.8865
605	7WV	0.8863
606	1WG	0.8861
607	H33	0.8860
608	K5W	0.8860
609	PYF	0.8859
610	4ZE	0.8858
611	LMR	0.8857
612	M3H	0.8857
613	QX2	0.8857
614	0FN	0.8857
615	23A	0.8856
616	BP1	0.8856
617	EUE	0.8856
618	4J8	0.8856
619	BTE	0.8855
620	CIT	0.8854
621	290	0.8853
622	3R4	0.8853
623	IPB	0.8851
624	3Z7	0.8851
625	J9T	0.8849
626	ABN	0.8849
627	1HN	0.8848
628	4Z4	0.8847
629	ESI	0.8847
630	BNF	0.8847
631	TTY	0.8846
632	BIK	0.8845
633	OXC	0.8844
634	AJY	0.8843
635	KYA	0.8842
636	7WA	0.8841
637	1WD	0.8840
638	FBS	0.8840
639	MCT	0.8837
640	7VS	0.8837
641	AAS	0.8837
642	LPK	0.8837
643	HHI	0.8836
644	BCU	0.8834
645	A7N	0.8833
646	JG8	0.8833
647	B62	0.8833
648	53C	0.8832
649	GLA	0.8831
650	492	0.8830
651	XUL	0.8829
652	J1Z	0.8829
653	M6Z	0.8827
654	IQ5	0.8826
655	DOR	0.8825
656	7VP	0.8824
657	SRT	0.8823
658	AJV	0.8822
659	7HP	0.8822
660	A5E	0.8820
661	PH3	0.8820
662	8G0	0.8819
663	DA4	0.8818
664	PCA	0.8816
665	0W1	0.8815
666	QX4	0.8815
667	OW7	0.8813
668	32X	0.8813
669	PHE	0.8810
670	NQ	0.8809
671	DRG	0.8808
672	NBE	0.8807
673	MNM	0.8806
674	XCZ	0.8805
675	39O	0.8805
676	3SK	0.8805
677	MAJ	0.8804
678	TDR	0.8803
679	G5V	0.8803
680	QOS	0.8803
681	A1U	0.8801
682	ES4	0.8801
683	36Y	0.8801
684	JYB	0.8801
685	GJZ	0.8800
686	X6X	0.8799
687	ORO	0.8799
688	TOF	0.8798
689	NID	0.8798
690	GAF	0.8798
691	GRE	0.8793
692	275	0.8792
693	5WY	0.8790
694	PY7	0.8790
695	4XS	0.8789
696	EKZ	0.8789
697	C21	0.8789
698	AMS	0.8788
699	PM6	0.8787
700	JXN	0.8787
701	P3K	0.8786
702	Q6T	0.8786
703	M45	0.8785
704	GXL	0.8785
705	34A	0.8784
706	36E	0.8783
707	FE DB1	0.8782
708	NK	0.8781
709	4RU	0.8780
710	282	0.8780
711	DQU	0.8780
712	RXA	0.8780
713	Q02	0.8780
714	AA	0.8779
715	SWD	0.8779
716	KIB	0.8778
717	XLS	0.8778
718	0XT	0.8777
719	X0V	0.8775
720	OTW	0.8774
721	DVQ	0.8774
722	RA7	0.8773
723	3DO	0.8773
724	LNR	0.8772
725	HHH	0.8772
726	ASC	0.8770
727	N2Z	0.8769
728	DHK	0.8769
729	2MP	0.8768
730	KBB	0.8766
731	CK2	0.8765
732	XHP	0.8765
733	MPV	0.8765
734	4V2	0.8764
735	AKH	0.8764
736	27Y	0.8764
737	PQK	0.8762
738	GBD	0.8761
739	6ME	0.8761
740	M2H	0.8759
741	CLZ	0.8757
742	268	0.8757
743	TP5	0.8757
744	6M1	0.8756
745	MZW	0.8755
746	23J	0.8755
747	GNM	0.8753
748	PYQ	0.8753
749	0TR	0.8753
750	44W	0.8752
751	IFM	0.8752
752	MO8	0.8751
753	7WG	0.8750
754	KJY	0.8750
755	FOT	0.8750
756	4HO	0.8750
757	OA3	0.8750
758	A7H	0.8749
759	IWT	0.8747
760	L22	0.8745
761	PXY	0.8744
762	4CL	0.8742
763	OGA	0.8742
764	KTJ	0.8741
765	LG4	0.8740
766	AW5	0.8740
767	JDN	0.8740
768	8K2	0.8739
769	TXW	0.8739
770	6F0	0.8738
771	7O4	0.8737
772	EQT	0.8737
773	K17	0.8737
774	HQE	0.8736
775	45C	0.8735
776	0N7	0.8735
777	PLQ	0.8735
778	NF3	0.8735
779	CFA	0.8733
780	TC7	0.8732
781	GDE	0.8731
782	DIE	0.8730
783	JU2	0.8729
784	44V	0.8727
785	2YU	0.8726
786	V1T	0.8725
787	FOA	0.8723
788	DHS	0.8722
789	TCA	0.8721
790	TBS	0.8721
791	TEP	0.8721
792	5UC	0.8720
793	JZ5	0.8720
794	KTW	0.8718
795	PCR	0.8717
796	CKA	0.8717
797	GLU	0.8716
798	9MG	0.8714
799	THA	0.8714
800	PPY	0.8714
801	X0W	0.8713
802	HXX	0.8712
803	MVN	0.8712
804	VOH	0.8711
805	3QV	0.8710
806	43M	0.8710
807	VXX	0.8709
808	25R	0.8709
809	363	0.8708
810	K82	0.8708
811	UEG	0.8706
812	7ZE	0.8701
813	2KA	0.8700
814	JZ2	0.8700
815	9RW	0.8698
816	FB2	0.8698
817	8XL	0.8697
818	JBN	0.8697
819	5MH	0.8697
820	F4Z	0.8697
821	OXQ	0.8697
822	QSH	0.8696
823	IJZ	0.8696
824	TLA	0.8695
825	QBM	0.8694
826	K37	0.8694
827	4JJ	0.8693
828	RHU	0.8693
829	P84	0.8693
830	WBU	0.8691
831	QPR	0.8689
832	GAG	0.8689
833	4LW	0.8689
834	8HC	0.8688
835	PYC	0.8685
836	JND	0.8684
837	68A	0.8683
838	TZC	0.8683
839	LEL	0.8682
840	FLV	0.8682
841	MAQ	0.8680
842	0FK	0.8680
843	GXY	0.8679
844	FDR	0.8679
845	EYK	0.8676
846	1MR	0.8676
847	CRS	0.8676
848	226	0.8675
849	N91	0.8674
850	ALE	0.8673
851	JP2	0.8671
852	FBV	0.8671
853	2ZV	0.8670
854	258	0.8670
855	7CZ	0.8669
856	34D	0.8669
857	D1X	0.8668
858	TAG	0.8667
859	EVF	0.8665
860	DA1	0.8665
861	BML	0.8665
862	XYD	0.8664
863	60P	0.8662
864	42C	0.8661
865	152	0.8660
866	6FB	0.8659
867	GLO	0.8659
868	RCO	0.8658
869	CSN	0.8657
870	4SX	0.8657
871	FPN	0.8656
872	K8X	0.8655
873	SKF	0.8654
874	5WX	0.8654
875	G12	0.8653
876	L14	0.8652
877	DX3	0.8650
878	B60	0.8650
879	JIF	0.8649
880	7MW	0.8645
881	SXS	0.8645
882	G4D	0.8643
883	KBZ	0.8642
884	265	0.8642
885	549	0.8642
886	2AC	0.8640
887	UFO	0.8640
888	069	0.8638
889	MWM	0.8637
890	IFP	0.8635
891	TLD	0.8634
892	YIO	0.8632
893	S76	0.8630
894	M1Z	0.8630
895	FDK	0.8630
896	3W8	0.8628
897	SMV	0.8625
898	4FH	0.8624
899	HZQ	0.8619
900	7B3	0.8619
901	WOO	0.8616
902	LDR	0.8616
903	F12	0.8613
904	4CH	0.8613
905	LCN	0.8611
906	F5B	0.8608
907	CFF	0.8607
908	BPY	0.8607
909	DBJ	0.8605
910	RAT	0.8604
911	2QC	0.8603
912	9DA	0.8600
913	SMN	0.8598
914	FGZ	0.8595
915	TAR	0.8594
916	ENO	0.8592
917	AY4	0.8591
918	S7J	0.8589
919	S0E	0.8588
920	ZZT	0.8587
921	4JO	0.8585
922	344	0.8583
923	9AP	0.8583
924	HPS	0.8580
925	GGL	0.8580
926	RIB	0.8579
927	HBO	0.8578
928	5GT	0.8578
929	P4B	0.8573
930	47J	0.8572
931	39A	0.8567
932	BNS	0.8564
933	TYE	0.8563
934	51R	0.8560
935	SJ5	0.8555
936	UAN	0.8554
937	II6	0.8549
938	4H2	0.8544
939	L3Q	0.8542
940	DNA	0.8538
941	6QF	0.8523
942	TM4	0.8522
943	3AE	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

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