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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
6QOH	1.66 Å	EC: 2.1.1.228	CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH FRAGMENT 11 (2-AMINC HLOROPURINE)	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
SO4	B:302;	Invalid;	none;	submit data		96.063	O4 S	[O-]S...
6GU	A:301; B:301;	Valid; Valid;	none; none;	submit data		169.572	C5 H4 Cl N5	c1[nH...

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: 6GU; Similar ligands found: 4

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	6GU	1	1
2	CFP	0.55814	0.789474
3	6AP	0.5	0.864865
4	ES4	0.4	0.783784

Similar Ligands (3D)

Ligand no: 1; Ligand: 6GU; Similar ligands found: 1052

No:	Ligand	Similarity coefficient
1	DX4	1.0000
2	A2F	1.0000
3	XAN	1.0000
4	GUN	1.0000
5	9DG	1.0000
6	AZA	1.0000
7	0CU	0.9995
8	290	0.9994
9	141	0.9971
10	IGA	0.9971
11	HH5	0.9959
12	YH7	0.9950
13	AZG	0.9948
14	1XM	0.9947
15	BCP	0.9929
16	BOA	0.9891
17	PE0	0.9805
18	BGC	0.9799
19	M5K	0.9782
20	Q24	0.9770
21	AJ2	0.9742
22	9MG	0.9741
23	6MP	0.9736
24	MEW	0.9729
25	AQO	0.9728
26	J9W	0.9728
27	5MB	0.9711
28	URC	0.9708
29	6AI	0.9704
30	4HC	0.9702
31	F60	0.9699
32	BZX	0.9697
33	B55	0.9696
34	5MI	0.9694
35	5H1	0.9692
36	14O	0.9688
37	5JQ	0.9687
38	ADE	0.9679
39	SWD	0.9676
40	2K4	0.9675
41	BTY	0.9673
42	HPA	0.9669
43	7HP	0.9667
44	FDB	0.9665
45	HH8	0.9665
46	1XN	0.9664
47	ES9	0.9661
48	BP1	0.9660
49	9DA	0.9655
50	9HX	0.9653
51	B53	0.9652
52	AZ8	0.9650
53	4XH	0.9648
54	8TX	0.9639
55	11S	0.9628
56	H4N	0.9626
57	M1Q	0.9623
58	8IG	0.9616
59	GLC	0.9614
60	RM1	0.9606
61	M6N	0.9600
62	XAZ	0.9595
63	FYU	0.9584
64	XYP	0.9573
65	SVN	0.9571
66	QWW	0.9570
67	G6D	0.9570
68	5OB	0.9568
69	QX2	0.9567
70	JAE	0.9564
71	BTE	0.9560
72	SAL	0.9558
73	QBK	0.9557
74	5JL	0.9549
75	NOJ	0.9542
76	Q88	0.9541
77	AHR	0.9537
78	8NY	0.9533
79	1WD	0.9529
80	4SV	0.9523
81	PM6	0.9522
82	I3A	0.9522
83	COU	0.9521
84	LXC	0.9521
85	25W	0.9519
86	JKE	0.9518
87	JB5	0.9514
88	BZ3	0.9510
89	BE2	0.9508
90	5XC	0.9507
91	03V	0.9507
92	HMH	0.9506
93	7WV	0.9504
94	7HQ	0.9503
95	4FS	0.9503
96	G3F	0.9503
97	10L	0.9500
98	7NI	0.9500
99	2AQ	0.9500
100	EA1	0.9493
101	ES5	0.9492
102	BHA	0.9490
103	MT0	0.9490
104	LZM	0.9486
105	OCH	0.9485
106	XQG	0.9484
107	JBK	0.9479
108	3U4	0.9475
109	42A	0.9475
110	F05	0.9473
111	2A7	0.9469
112	T6C	0.9469
113	JIF	0.9467
114	2D0	0.9466
115	UAN	0.9465
116	HLR	0.9465
117	M1E	0.9463
118	UEG	0.9457
119	S76	0.9455
120	DOB	0.9454
121	35C	0.9453
122	3HA	0.9450
123	Q6T	0.9448
124	ES6	0.9447
125	AKH	0.9444
126	DBH	0.9443
127	RXA	0.9443
128	HZQ	0.9441
129	VK3	0.9437
130	1P7	0.9434
131	H42	0.9434
132	5CU	0.9431
133	MUA	0.9431
134	495	0.9431
135	NQ	0.9430
136	ADK	0.9429
137	3MA	0.9429
138	8S0	0.9427
139	6M9	0.9426
140	9EW	0.9425
141	5NU	0.9424
142	FE DB1	0.9423
143	6VD	0.9420
144	1LQ	0.9417
145	HLZ	0.9416
146	5IQ	0.9416
147	5Q0	0.9416
148	OXC	0.9416
149	12B	0.9413
150	GAL	0.9409
151	HMU	0.9408
152	1NP	0.9406
153	ADZ	0.9405
154	MR1	0.9405
155	F5B	0.9404
156	QPR	0.9403
157	5SG	0.9401
158	7VS	0.9397
159	DRL	0.9396
160	ZZT	0.9394
161	IJZ	0.9392
162	VGD	0.9390
163	GAB	0.9390
164	680	0.9389
165	JZ3	0.9387
166	1LM	0.9387
167	FA0	0.9385
168	NMJ	0.9385
169	42C	0.9383
170	ISN	0.9383
171	ES1	0.9380
172	7WA	0.9379
173	GTQ	0.9378
174	HQY	0.9377
175	GCS	0.9377
176	7B4	0.9376
177	M0W	0.9375
178	DMD	0.9373
179	ORO	0.9373
180	M0Q	0.9368
181	LSA	0.9367
182	O72	0.9365
183	VNL	0.9365
184	7W4	0.9364
185	3ID	0.9364
186	QWN	0.9364
187	5WX	0.9362
188	2AK	0.9361
189	39A	0.9360
190	F9Y	0.9360
191	FP1	0.9359
192	3WA	0.9359
193	DOR	0.9357
194	67N	0.9352
195	B60	0.9350
196	JBE	0.9350
197	DIU	0.9350
198	7MH	0.9349
199	XQ0	0.9348
200	1SQ	0.9348
201	6M4	0.9348
202	MO8	0.9347
203	TH7	0.9345
204	4M0	0.9344
205	KIB	0.9343
206	KIA	0.9343
207	5HN	0.9340
208	OTW	0.9340
209	2ZQ	0.9339
210	D07	0.9339
211	XHP	0.9338
212	TEP	0.9338
213	24W	0.9338
214	G5V	0.9337
215	37T	0.9336
216	2ZV	0.9336
217	M1A	0.9336
218	EXO	0.9336
219	1DW	0.9335
220	5RG	0.9334
221	0W8	0.9333
222	13X	0.9332
223	IND	0.9331
224	BZI	0.9331
225	JBH	0.9329
226	5RN	0.9327
227	0CT	0.9327
228	JBQ	0.9325
229	BZF	0.9325
230	FUL	0.9325
231	EQT	0.9322
232	4JT	0.9322
233	JPZ	0.9321
234	23A	0.9321
235	2DR	0.9321
236	KKN	0.9320
237	GRE	0.9320
238	4JP	0.9320
239	LZ1	0.9318
240	AX2	0.9317
241	R8S	0.9316
242	BR8	0.9316
243	47J	0.9315
244	MPI	0.9314
245	NTM	0.9314
246	N5J	0.9311
247	GVH	0.9311
248	QUZ	0.9309
249	TBP	0.9309
250	7ZE	0.9307
251	0R0	0.9307
252	3HB	0.9305
253	6UA	0.9305
254	24B	0.9305
255	R8V	0.9304
256	PHT	0.9303
257	ISE	0.9302
258	6F0	0.9301
259	GIO	0.9301
260	QX4	0.9300
261	5WY	0.9300
262	HJP	0.9297
263	DEN	0.9297
264	2FG	0.9297
265	QXW	0.9296
266	NDM	0.9295
267	PRZ	0.9294
268	NPY	0.9293
269	K17	0.9291
270	3SK	0.9290
271	6M1	0.9289
272	CTS	0.9288
273	XXR	0.9287
274	JFD	0.9286
275	8GC	0.9285
276	3DM	0.9285
277	3MG	0.9284
278	ES7	0.9282
279	ABV	0.9282
280	44W	0.9282
281	3AB	0.9282
282	ES0	0.9282
283	261	0.9281
284	8H8	0.9279
285	M1H	0.9276
286	82I	0.9275
287	NK	0.9273
288	SHA	0.9270
289	B57	0.9269
290	34D	0.9269
291	NID	0.9268
292	AW5	0.9266
293	286	0.9266
294	B62	0.9265
295	AX7	0.9264
296	270	0.9264
297	WCE	0.9264
298	DBJ	0.9264
299	4ME	0.9264
300	ICO	0.9263
301	5AN	0.9261
302	A7W	0.9260
303	DQU	0.9260
304	54G	0.9260
305	GYE	0.9259
306	12Q	0.9257
307	MVN	0.9254
308	PXL	0.9251
309	KJH	0.9249
310	HQT	0.9249
311	INE	0.9248
312	86J	0.9248
313	6CS	0.9248
314	ET2	0.9246
315	GLA	0.9244
316	R8A	0.9244
317	TBS	0.9242
318	2AL	0.9242
319	TH0	0.9241
320	RM4	0.9240
321	TTL	0.9239
322	XYS	0.9235
323	MAQ	0.9234
324	0N7	0.9234
325	9TZ	0.9234
326	3F0	0.9231
327	53C	0.9231
328	149	0.9231
329	2HQ	0.9229
330	4YS	0.9228
331	5M0	0.9228
332	YSO	0.9226
333	NPO	0.9223
334	PFB	0.9223
335	DFB	0.9223
336	3AY	0.9222
337	LGC	0.9222
338	2H5	0.9222
339	60P	0.9221
340	7VJ	0.9221
341	IDM	0.9221
342	GDE	0.9220
343	F0J	0.9219
344	329	0.9215
345	CWM	0.9215
346	WDL	0.9213
347	P92	0.9212
348	SKA	0.9212
349	3M0	0.9211
350	PXM	0.9210
351	4HO	0.9209
352	INS	0.9208
353	KLW	0.9207
354	3MB	0.9206
355	RNS	0.9205
356	HQD	0.9204
357	0P6	0.9201
358	SYV	0.9201
359	PYQ	0.9201
360	HHA	0.9200
361	BEN	0.9199
362	0FO	0.9198
363	URF	0.9194
364	ERH	0.9194
365	ZZ3	0.9188
366	5QX	0.9187
367	DIN	0.9184
368	32X	0.9184
369	M2H	0.9182
370	TM7	0.9181
371	AZ9	0.9180
372	4MU	0.9179
373	KYA	0.9178
374	8ZE	0.9176
375	FCB	0.9175
376	KJY	0.9174
377	F12	0.9172
378	1WG	0.9172
379	2MI	0.9170
380	8CM	0.9169
381	0R1	0.9169
382	DHK	0.9169
383	4ZE	0.9167
384	4ZC	0.9167
385	4XR	0.9166
386	3PF	0.9164
387	44V	0.9161
388	KOJ	0.9161
389	2CK	0.9160
390	TIU	0.9160
391	FUC	0.9160
392	2ZM	0.9158
393	5QY	0.9157
394	X09	0.9156
395	6NT	0.9154
396	II6	0.9153
397	P3K	0.9152
398	51R	0.9152
399	OAA	0.9152
400	KUF	0.9151
401	UNC	0.9151
402	6ME	0.9151
403	3XX	0.9151
404	MWM	0.9150
405	5WV	0.9150
406	E7Z	0.9148
407	RPQ	0.9148
408	275	0.9147
409	1PT	0.9147
410	RIP	0.9147
411	WBU	0.9145
412	XBZ	0.9144
413	G3E	0.9144
414	VNJ	0.9143
415	K8X	0.9143
416	7W1	0.9143
417	PYG	0.9141
418	CLW	0.9139
419	PHB	0.9139
420	HT4	0.9136
421	DIE	0.9136
422	MFB	0.9135
423	N2I	0.9133
424	3DO	0.9133
425	9KT	0.9128
426	BMA	0.9128
427	ARB	0.9128
428	ES2	0.9127
429	1MC	0.9127
430	5MH	0.9127
431	717	0.9127
432	IV2	0.9126
433	GAG	0.9124
434	SHG	0.9123
435	GCU	0.9123
436	3FA	0.9122
437	5MK	0.9121
438	HFB	0.9121
439	M2K	0.9121
440	PDC	0.9119
441	1P8	0.9118
442	3RK	0.9117
443	5VM	0.9115
444	3NY	0.9115
445	3OC	0.9115
446	C2U	0.9114
447	3Z7	0.9114
448	JZ9	0.9113
449	150	0.9113
450	0TR	0.9113
451	CTL	0.9113
452	34A	0.9111
453	TCZ	0.9110
454	V55	0.9110
455	PAB	0.9109
456	OXQ	0.9107
457	MS9	0.9106
458	BDP	0.9105
459	BAM	0.9101
460	5B1	0.9100
461	FBB	0.9100
462	3NT	0.9100
463	OVM	0.9100
464	TDR	0.9098
465	1F1	0.9098
466	2BG	0.9098
467	KJU	0.9098
468	GIV	0.9098
469	PQ0	0.9097
470	PRF	0.9097
471	36R	0.9095
472	ICP	0.9095
473	PYD	0.9095
474	G1O	0.9095
475	0HO	0.9095
476	ODO	0.9095
477	F81	0.9094
478	0MK	0.9094
479	0HN	0.9093
480	2MP	0.9093
481	NCA	0.9093
482	IFL	0.9093
483	0RW	0.9092
484	KYD	0.9091
485	4M4	0.9089
486	0JD	0.9089
487	RCO	0.9088
488	SX1	0.9087
489	3IT	0.9087
490	IPZ	0.9086
491	FFP	0.9085
492	BEZ	0.9085
493	43M	0.9084
494	HIS	0.9084
495	GBD	0.9083
496	APZ	0.9082
497	2C9	0.9082
498	5CL	0.9080
499	SE2	0.9079
500	6MH	0.9079
501	HBA	0.9079
502	FB1	0.9079
503	Z5P	0.9077
504	FUF	0.9077
505	GMN	0.9076
506	5ZE	0.9076
507	XIY	0.9075
508	MBD	0.9074
509	4CS	0.9074
510	E5X	0.9074
511	BBF	0.9073
512	284	0.9073
513	PHH	0.9071
514	2CM	0.9071
515	DHB	0.9071
516	MCT	0.9070
517	BCF	0.9068
518	BHO	0.9068
519	SWA	0.9068
520	CFF	0.9067
521	PZA	0.9067
522	2EC	0.9067
523	2MY	0.9066
524	L3Q	0.9066
525	DHQ	0.9065
526	EYK	0.9064
527	URA	0.9063
528	2LP	0.9062
529	ISZ	0.9061
530	MBG	0.9061
531	2YU	0.9060
532	D1X	0.9059
533	MQN	0.9057
534	D48	0.9057
535	14J	0.9056
536	3FH	0.9056
537	IP0	0.9056
538	RIB	0.9056
539	5NI	0.9054
540	GJS	0.9054
541	23J	0.9054
542	LI6	0.9052
543	3CH	0.9052
544	2HU	0.9050
545	J5I	0.9050
546	SJ5	0.9050
547	XM0	0.9050
548	IFM	0.9050
549	CYT	0.9049
550	4Z4	0.9048
551	NBZ	0.9048
552	FOT	0.9047
553	209	0.9047
554	A13	0.9047
555	6NI	0.9047
556	KT7	0.9046
557	G2F	0.9046
558	JA8	0.9045
559	FLM	0.9045
560	DBX	0.9043
561	BSX	0.9042
562	NOY	0.9042
563	MLT	0.9041
564	INO	0.9040
565	KDV	0.9039
566	HY3	0.9039
567	GM7	0.9038
568	4YO	0.9036
569	CRS	0.9036
570	5RO	0.9034
571	RAM	0.9034
572	YQA	0.9033
573	TSS	0.9033
574	4NC	0.9032
575	3A9	0.9032
576	2ZX	0.9032
577	7ME	0.9031
578	MRW	0.9031
579	SOE	0.9031
580	3BZ	0.9030
581	AZF	0.9029
582	6RQ	0.9028
583	IPB	0.9028
584	CWJ	0.9028
585	LT2	0.9027
586	NTN	0.9025
587	LG3	0.9025
588	OXZ	0.9024
589	GAF	0.9024
590	26D	0.9022
591	AIN	0.9021
592	JAW	0.9020
593	XBT	0.9020
594	ABI	0.9018
595	UNU	0.9018
596	IBF	0.9017
597	X6X	0.9016
598	HLD	0.9014
599	2CQ	0.9014
600	HGQ	0.9014
601	LG5	0.9012
602	3MC	0.9011
603	H33	0.9010
604	F3B	0.9010
605	ASO	0.9010
606	NIO	0.9010
607	GIM	0.9010
608	DUB	0.9009
609	NNO	0.9009
610	1GN	0.9009
611	J9Q	0.9009
612	P72	0.9006
613	FRU	0.9006
614	BSP	0.9005
615	NIZ	0.9005
616	AUD	0.9005
617	MWP	0.9004
618	TTY	0.9004
619	HNQ	0.9003
620	AEZ	0.9003
621	FCA	0.9003
622	YCP	0.9003
623	TLD	0.9002
624	8WO	0.9001
625	RSF	0.9000
626	1M2	0.8999
627	FQI	0.8999
628	K32	0.8996
629	CWS	0.8996
630	VGL	0.8995
631	G4D	0.8994
632	NDH	0.8993
633	MVL	0.8993
634	GIF	0.8992
635	EVA	0.8992
636	MZG	0.8991
637	JZ1	0.8991
638	3Z8	0.8990
639	DQN	0.8989
640	BVF	0.8989
641	4JQ	0.8987
642	CLZ	0.8986
643	97T	0.8986
644	AC0	0.8986
645	GCB	0.8986
646	WOO	0.8986
647	GTR	0.8984
648	4VP	0.8981
649	HBD	0.8980
650	826	0.8980
651	GZ8	0.8980
652	PA1	0.8980
653	4XS	0.8979
654	R9S	0.8979
655	FBV	0.8978
656	ZVO	0.8978
657	3CE	0.8977
658	TM4	0.8977
659	0TU	0.8977
660	4TU	0.8974
661	XX2	0.8974
662	K2T	0.8974
663	PCI	0.8974
664	DUC	0.8974
665	BEA	0.8973
666	QAS	0.8972
667	PBZ	0.8971
668	BR9	0.8971
669	JDN	0.8969
670	5GU	0.8969
671	4A3	0.8968
672	RHU	0.8968
673	CFI	0.8968
674	FGZ	0.8967
675	K22	0.8967
676	GOG	0.8967
677	TWO	0.8966
678	5UC	0.8965
679	FPK	0.8965
680	ALL	0.8964
681	JB8	0.8963
682	6PC	0.8961
683	PX7	0.8961
684	BK9	0.8960
685	4AA	0.8960
686	MYJ	0.8960
687	2FQ	0.8958
688	JLZ	0.8958
689	QSH	0.8955
690	2HO	0.8955
691	SKM	0.8955
692	8WT	0.8954
693	FHB	0.8953
694	J9T	0.8953
695	4XV	0.8953
696	JUG	0.8952
697	N8Y	0.8950
698	GTZ	0.8950
699	K6X	0.8950
700	92Z	0.8949
701	9R5	0.8949
702	FK1	0.8948
703	NTZ	0.8947
704	QAT	0.8945
705	MAN	0.8945
706	I1N	0.8945
707	EUG	0.8944
708	23W	0.8942
709	FBG	0.8941
710	173	0.8940
711	8GF	0.8939
712	75K	0.8939
713	7B3	0.8938
714	DPZ	0.8938
715	A1U	0.8936
716	4JO	0.8935
717	0GZ	0.8934
718	12M	0.8934
719	PCA	0.8934
720	GV9	0.8933
721	P9P	0.8932
722	PLQ	0.8931
723	DYA	0.8930
724	HX3	0.8929
725	OW4	0.8927
726	KBG	0.8927
727	MNM	0.8927
728	GZL	0.8927
729	8OZ	0.8926
730	OVV	0.8926
731	7CZ	0.8925
732	TOF	0.8925
733	7WR	0.8923
734	L89	0.8922
735	5JC	0.8921
736	3MH	0.8921
737	YIO	0.8921
738	4H2	0.8920
739	93K	0.8920
740	CAQ	0.8920
741	FPY	0.8919
742	2AC	0.8918
743	ZWZ	0.8918
744	PD2	0.8915
745	M3T	0.8915
746	MWJ	0.8915
747	QOS	0.8914
748	9FL	0.8912
749	3HM	0.8910
750	GXY	0.8910
751	MZB	0.8910
752	4P5	0.8908
753	Q7A	0.8908
754	2F6	0.8908
755	HHQ	0.8907
756	8G0	0.8905
757	F4Z	0.8904
758	OXE	0.8903
759	280	0.8903
760	DNC	0.8901
761	H76	0.8901
762	EKZ	0.8900
763	PZI	0.8898
764	FP2	0.8896
765	45C	0.8895
766	QSC	0.8895
767	LG4	0.8895
768	1AN	0.8895
769	J1Z	0.8894
770	NSP	0.8894
771	1Y6	0.8888
772	CN0	0.8887
773	F31	0.8887
774	OTD	0.8887
775	GTL	0.8886
776	15N	0.8886
777	SF9	0.8886
778	BEW	0.8885
779	25R	0.8884
780	XYD	0.8882
781	Z82	0.8882
782	KBB	0.8881
783	BDF	0.8881
784	15L	0.8880
785	4CL	0.8880
786	ARA	0.8880
787	Y8I	0.8879
788	2MN	0.8878
789	HQE	0.8877
790	CHB	0.8876
791	SRT	0.8875
792	FBM	0.8874
793	SRO	0.8873
794	DGJ	0.8872
795	GCO	0.8872
796	FBT	0.8871
797	PBC	0.8870
798	1DU	0.8870
799	JZ0	0.8869
800	AGK	0.8869
801	JTH	0.8869
802	92P	0.8868
803	4PW	0.8868
804	PXY	0.8867
805	HA7	0.8867
806	76X	0.8866
807	GOX	0.8865
808	XUL	0.8865
809	DNF	0.8864
810	8LG	0.8863
811	ZZ8	0.8863
812	GXL	0.8863
813	PCR	0.8862
814	IDH	0.8861
815	FBU	0.8860
816	LMR	0.8859
817	8XQ	0.8858
818	94N	0.8856
819	O2A	0.8856
820	PEY	0.8855
821	SYA	0.8854
822	2AF	0.8853
823	M58	0.8852
824	FPN	0.8852
825	NVU	0.8852
826	9TY	0.8852
827	XCZ	0.8851
828	52C	0.8850
829	AFR	0.8849
830	B3R	0.8847
831	N7P	0.8847
832	SVD	0.8846
833	DA1	0.8845
834	FBA	0.8845
835	TC7	0.8843
836	TAR	0.8842
837	PAF	0.8842
838	C2Y	0.8842
839	20J	0.8842
840	4JJ	0.8840
841	E1T	0.8840
842	VOH	0.8839
843	AMG	0.8838
844	CIG	0.8835
845	0F9	0.8835
846	AS3	0.8834
847	QSB	0.8832
848	MFU	0.8830
849	TGX	0.8828
850	HXX	0.8828
851	H8N	0.8827
852	ABN	0.8827
853	4MA	0.8826
854	PYC	0.8826
855	OK7	0.8826
856	282	0.8825
857	SYN	0.8825
858	UFV	0.8824
859	EV0	0.8823
860	HA5	0.8823
861	N8P	0.8823
862	ENL	0.8821
863	938	0.8820
864	AC6	0.8819
865	LRH	0.8819
866	PQK	0.8816
867	1LN	0.8815
868	HEW	0.8814
869	HBX	0.8813
870	93Q	0.8813
871	RMN	0.8811
872	FDK	0.8810
873	2CH	0.8810
874	Q71	0.8810
875	TFU	0.8808
876	MZW	0.8805
877	7N0	0.8805
878	5NE	0.8804
879	NGO	0.8804
880	OMD	0.8804
881	GLT	0.8803
882	JND	0.8803
883	0FN	0.8802
884	HTP	0.8800
885	GOO	0.8799
886	HHR	0.8798
887	RB5	0.8795
888	ADA	0.8795
889	PKU	0.8794
890	JZ2	0.8793
891	YAN	0.8792
892	PFL	0.8791
893	SW7	0.8790
894	EJZ	0.8789
895	FOA	0.8789
896	PY7	0.8788
897	M5N	0.8787
898	FCR	0.8784
899	0LH	0.8784
900	5AC	0.8782
901	URP	0.8780
902	MHK	0.8776
903	TLA	0.8775
904	BNT	0.8774
905	PYF	0.8773
906	JBN	0.8772
907	JZ5	0.8771
908	9CA	0.8770
909	7WG	0.8769
910	R9Y	0.8769
911	FHN	0.8768
912	C2A	0.8766
913	TT4	0.8764
914	IUR	0.8763
915	KFH	0.8762
916	4KL	0.8754
917	T9G	0.8753
918	27Y	0.8752
919	1U6	0.8752
920	8GK	0.8752
921	JXN	0.8751
922	GLY PRO	0.8751
923	BRT	0.8749
924	FH2	0.8745
925	DFU	0.8745
926	TP5	0.8744
927	JZ4	0.8744
928	SXS	0.8743
929	N2Z	0.8742
930	IHB	0.8742
931	DS0	0.8741
932	IUP	0.8741
933	DEE	0.8739
934	M4E	0.8738
935	PH2	0.8738
936	4XX	0.8738
937	K5W	0.8736
938	92K	0.8736
939	9TW	0.8735
940	174	0.8734
941	ABE	0.8734
942	IFP	0.8733
943	YRL	0.8731
944	FAN	0.8730
945	2TQ	0.8730
946	6LW	0.8729
947	HTS	0.8728
948	NBE	0.8722
949	2PC	0.8722
950	DHR	0.8721
951	4WL	0.8721
952	069	0.8721
953	LYL	0.8720
954	9FE	0.8720
955	LT8	0.8720
956	X8D	0.8719
957	X0V	0.8718
958	6HQ	0.8715
959	JU2	0.8714
960	K34	0.8710
961	H5B	0.8708
962	94W	0.8707
963	4CH	0.8707
964	2LY	0.8707
965	DNA	0.8705
966	PEZ	0.8705
967	8W9	0.8702
968	MT5	0.8701
969	OVP	0.8700
970	BML	0.8699
971	HIO	0.8698
972	X05	0.8698
973	9ZE	0.8696
974	PBA	0.8696
975	1X7	0.8695
976	TZC	0.8695
977	B2J	0.8695
978	SAN	0.8693
979	226	0.8691
980	4JM	0.8690
981	LCN	0.8689
982	PHU	0.8689
983	4ZA	0.8687
984	DMJ	0.8687
985	2A9	0.8686
986	4HS	0.8686
987	7MX	0.8686
988	LDP	0.8682
989	FLV	0.8679
990	MAK	0.8678
991	6BL	0.8677
992	ZB1	0.8677
993	AAS	0.8677
994	ZZZ	0.8677
995	TPA	0.8676
996	CGB	0.8676
997	TMT	0.8674
998	PRY	0.8673
999	F1A	0.8670
1000	HQJ	0.8669
1001	ESI	0.8667
1002	3AL	0.8664
1003	265	0.8662
1004	TMZ	0.8661
1005	PNZ	0.8660
1006	260	0.8660
1007	EMZ	0.8654
1008	E3D	0.8654
1009	BZ2	0.8653
1010	7D2	0.8652
1011	091	0.8652
1012	C21	0.8648
1013	4JN	0.8647
1014	LDR	0.8644
1015	RD4	0.8644
1016	2XX	0.8643
1017	7MU	0.8643
1018	RBL	0.8643
1019	JKZ	0.8640
1020	GCV	0.8636
1021	A65	0.8635
1022	ZBT	0.8630
1023	XRG	0.8630
1024	JAB	0.8627
1025	LFR	0.8627
1026	6KT	0.8627
1027	15E	0.8625
1028	ANN	0.8625
1029	TRA	0.8624
1030	IF7	0.8623
1031	XYL	0.8621
1032	4FH	0.8621
1033	FUB	0.8618
1034	ONR	0.8614
1035	CKA	0.8613
1036	SLS	0.8613
1037	948	0.8611
1038	GLF	0.8606
1039	LDU	0.8606
1040	AEF	0.8605
1041	SMV	0.8602
1042	PBR	0.8590
1043	5NS	0.8589
1044	0FK	0.8577
1045	AA	0.8576
1046	ICF	0.8573
1047	KPL	0.8568
1048	DA4	0.8567
1049	ICB	0.8563
1050	39O	0.8552
1051	SMN	0.8548
1052	TYL	0.8518

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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