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Showing PDB: 3H24

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Receptor | Ligand | View in 3D

Family: 90% | 70% | 50% | site

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      Structure Biounit | Ligand Information

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Family 90% : .ZIP | .CSV

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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
3H24	2.5 Å	EC: 2.5.1.15	STRUCTURAL STUDIES OF PTERIN-BASED INHIBITORS OF DIHYDROPTER SYNTHASE	BACILLUS ANTHRACIS STR. A2012	ANTHRACIS FOLATE BIOSYNTHESIS DIHYDROPTEROATE PTERINE TRANSFERASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.:	STRUCTURAL STUDIES OF PTERIN-BASED INHIBITORS OF DIHYDROPTEROATE SYNTHASE. J.MED.CHEM. V. 53 166 2010

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
B55	A:901; B:902;	Valid; Valid;	none; none;	submit data		183.191	C5 H5 N5 O S	c12c(...
SO4	A:278; A:279; A:280; A:281; A:282; B:278; B:279; B:280; B:281; B:282; B:283; B:284;	Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid;	none; none; none; none; none; none; none; none; none; none; none; none;	submit data		96.063	O4 S	[O-]S...

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90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
3H22	2.4 Å	EC: 2.5.1.15	STRUCTURAL STUDIES OF PTERIN-BASED INHIBITORS OF DIHYDROPTER SYNTHASE	BACILLUS ANTHRACIS STR. A2012	ANTHRACIS FOLATE BIOSYNTHESIS DIHYDROPTEROATE PTERINE TRANSFERASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.:	STRUCTURAL STUDIES OF PTERIN-BASED INHIBITORS OF DIHYDROPTEROATE SYNTHASE. J.MED.CHEM. V. 53 166 2010

Members (25)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 8 families.
1	4D8Z	Kd = 0.51 uM	0J2	C10 H11 N5 O4	C[C@H](CC(....
2	4DB7	Kd = 0.273 uM	Z25	C9 H9 N5 O4	C(CC(=O)O)....
3	4D8A	-	0HY	C11 H13 N5 O4	C[C@H](CC(....
4	4DAF	Kd = 0.076 uM	0J4	C9 H9 N5 O4	C[C@H](C1=....
5	3H22	ic50 = 8 uM	B53	C4 H5 N5 O2	C1(=C(N=C(....
6	4NIL	-	2O8	C8 H6 F3 N O S	c1cc(ccc1C....
7	1TX2	-	680	C5 H7 N5 O3	CNC1=C(C(=....
8	1TWW	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
9	3TYE	-	XHP	C7 H7 N5 O	C=C1CN=C2C....
10	3H2M	ic50 = 215 uM	B61	C11 H17 N5 O2	CC(C)(CC1=....
11	3H24	-	B55	C5 H5 N5 O S	c12c([nH]c....
12	3TYC	-	XHP	C7 H7 N5 O	C=C1CN=C2C....
13	3H2F	ic50 = 86.7 uM	B60	C7 H9 N5 O	CN1CC=NC2=....
14	1TX0	-	PT1	C14 H12 N6 O3	c1cc(ccc1C....
15	3H21	ic50 = 19.8 uM	B52	C10 H11 N5 O4	C[C@H](C1=....
16	4D9P	ic50 = 145 uM	Z17	C11 H13 N5 O4	C[C@H](CC(....
17	3H26	ic50 = 32.4 uM	B56	C8 H9 N5 O3	CN1CC(=NC2....
18	3TYD	-	XHP	C7 H7 N5 O	C=C1CN=C2C....
19	4DAI	Kd = 110 nM	0J5	C8 H7 N5 O4	C(C1=NNC2=....
20	4NHV	-	2O6	C8 H5 F3 N2 O	c1cc2c(cc1....
21	3H2N	ic50 = 212.6 uM	B62	C7 H11 N5 O	C[C@@H]1CN....
22	4NL1	-	Z13	C16 H11 F6 N	c1cc(ccc1C....
23	3H23	ic50 = 19.3 uM	B54	C14 H15 N5 O5	c1cc(ccc1C....
24	3H2A	ic50 = 108.9 uM	B57	C4 H5 N5 O3	C1(=C(N=C(....
25	4NIR	-	6DH	C11 H11 F3 N2 O	c1cc2c(cc1....

70% Homology Family (25)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 7 families.
1	4D8Z	Kd = 0.51 uM	0J2	C10 H11 N5 O4	C[C@H](CC(....
2	4DB7	Kd = 0.273 uM	Z25	C9 H9 N5 O4	C(CC(=O)O)....
3	4D8A	-	0HY	C11 H13 N5 O4	C[C@H](CC(....
4	4DAF	Kd = 0.076 uM	0J4	C9 H9 N5 O4	C[C@H](C1=....
5	3H22	ic50 = 8 uM	B53	C4 H5 N5 O2	C1(=C(N=C(....
6	4NIL	-	2O8	C8 H6 F3 N O S	c1cc(ccc1C....
7	1TX2	-	680	C5 H7 N5 O3	CNC1=C(C(=....
8	1TWW	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
9	3TYE	-	XHP	C7 H7 N5 O	C=C1CN=C2C....
10	3H2M	ic50 = 215 uM	B61	C11 H17 N5 O2	CC(C)(CC1=....
11	3H24	-	B55	C5 H5 N5 O S	c12c([nH]c....
12	3TYC	-	XHP	C7 H7 N5 O	C=C1CN=C2C....
13	3H2F	ic50 = 86.7 uM	B60	C7 H9 N5 O	CN1CC=NC2=....
14	1TX0	-	PT1	C14 H12 N6 O3	c1cc(ccc1C....
15	3H21	ic50 = 19.8 uM	B52	C10 H11 N5 O4	C[C@H](C1=....
16	4D9P	ic50 = 145 uM	Z17	C11 H13 N5 O4	C[C@H](CC(....
17	3H26	ic50 = 32.4 uM	B56	C8 H9 N5 O3	CN1CC(=NC2....
18	3TYD	-	XHP	C7 H7 N5 O	C=C1CN=C2C....
19	4DAI	Kd = 110 nM	0J5	C8 H7 N5 O4	C(C1=NNC2=....
20	4NHV	-	2O6	C8 H5 F3 N2 O	c1cc2c(cc1....
21	3H2N	ic50 = 212.6 uM	B62	C7 H11 N5 O	C[C@@H]1CN....
22	4NL1	-	Z13	C16 H11 F6 N	c1cc(ccc1C....
23	3H23	ic50 = 19.3 uM	B54	C14 H15 N5 O5	c1cc(ccc1C....
24	3H2A	ic50 = 108.9 uM	B57	C4 H5 N5 O3	C1(=C(N=C(....
25	4NIR	-	6DH	C11 H11 F3 N2 O	c1cc2c(cc1....

50% Homology Family (46)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	1AJ0	-	SAN	C6 H8 N2 O2 S	c1cc(ccc1N....
2	5U10	-	PT1	C14 H12 N6 O3	c1cc(ccc1C....
3	5U0W	-	9MG	C6 H7 N5 O	Cn1cnc2c1n....
4	5U0V	-	7VJ	C5 H7 N5 O2	CNC1=C(C(=....
5	5U14	-	7PV	C13 H14 N6 O3 S2	c1cc(ccc1C....
6	5U0Z	-	7PM	C13 H11 N5 O3 S	c1ccc(cc1)....
7	5V7A	-	8Y7	C8 H9 N5 O3 S	Cn1c2c(nc1....
8	5U0Y	-	7PJ	C7 H7 N5 O3 S	C(C(=O)O)S....
9	5V79	-	8Y4	C14 H14 N6 O2 S	Cn1c2c(nc1....
10	5U13	-	YH5	C14 H13 N5 O3 S	COc1ccc(cc....
11	5U11	-	7PS	C8 H10 N6 O2 S	CNC(=O)CSc....
12	5U12	-	5RU	C12 H10 F N5 O S	c1ccc(c(c1....
13	1AJ2	-	2PH	C7 H11 N5 O8 P2	C1C(=NC2=C....
14	4D8Z	Kd = 0.51 uM	0J2	C10 H11 N5 O4	C[C@H](CC(....
15	4DB7	Kd = 0.273 uM	Z25	C9 H9 N5 O4	C(CC(=O)O)....
16	4D8A	-	0HY	C11 H13 N5 O4	C[C@H](CC(....
17	4DAF	Kd = 0.076 uM	0J4	C9 H9 N5 O4	C[C@H](C1=....
18	3H22	ic50 = 8 uM	B53	C4 H5 N5 O2	C1(=C(N=C(....
19	4NIL	-	2O8	C8 H6 F3 N O S	c1cc(ccc1C....
20	1TX2	-	680	C5 H7 N5 O3	CNC1=C(C(=....
21	1TWW	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
22	3TYE	-	XHP	C7 H7 N5 O	C=C1CN=C2C....
23	3H2M	ic50 = 215 uM	B61	C11 H17 N5 O2	CC(C)(CC1=....
24	3H24	-	B55	C5 H5 N5 O S	c12c([nH]c....
25	3TYC	-	XHP	C7 H7 N5 O	C=C1CN=C2C....
26	3H2F	ic50 = 86.7 uM	B60	C7 H9 N5 O	CN1CC=NC2=....
27	1TX0	-	PT1	C14 H12 N6 O3	c1cc(ccc1C....
28	3H21	ic50 = 19.8 uM	B52	C10 H11 N5 O4	C[C@H](C1=....
29	4D9P	ic50 = 145 uM	Z17	C11 H13 N5 O4	C[C@H](CC(....
30	3H26	ic50 = 32.4 uM	B56	C8 H9 N5 O3	CN1CC(=NC2....
31	3TYD	-	XHP	C7 H7 N5 O	C=C1CN=C2C....
32	4DAI	Kd = 110 nM	0J5	C8 H7 N5 O4	C(C1=NNC2=....
33	4NHV	-	2O6	C8 H5 F3 N2 O	c1cc2c(cc1....
34	3H2N	ic50 = 212.6 uM	B62	C7 H11 N5 O	C[C@@H]1CN....
35	4NL1	-	Z13	C16 H11 F6 N	c1cc(ccc1C....
36	3H23	ic50 = 19.3 uM	B54	C14 H15 N5 O5	c1cc(ccc1C....
37	3H2A	ic50 = 108.9 uM	B57	C4 H5 N5 O3	C1(=C(N=C(....
38	4NIR	-	6DH	C11 H11 F3 N2 O	c1cc2c(cc1....
39	1EYE	-	PMM	C7 H8 N5 O5 P	c1c(nc2c(n....
40	1AD4	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
41	6CLV	-	6MB	C18 H18 N8 O4 S	Cc1c(noc1N....
42	2VEG	-	PMM	C7 H8 N5 O5 P	c1c(nc2c(n....
43	3TYZ	-	PAB	C7 H7 N O2	c1cc(ccc1C....
44	3TZF	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
45	5JQ9	-	6MB	C18 H18 N8 O4 S	Cc1c(noc1N....
46	2Y5S	-	78H	C14 H14 N6 O3	c1cc(ccc1C....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: B55; Similar ligands found: 7

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	B55	1	1
2	8IG	0.541667	0.814815
3	7PJ	0.473684	0.816667
4	7PS	0.45	0.816667
5	5RX	0.415385	0.844828
6	GUN	0.403846	0.877551
7	YH1	0.402985	0.844828

Similar Ligands (3D)

Ligand no: 1; Ligand: B55; Similar ligands found: 1205

No:	Ligand	Similarity coefficient
1	BTY	1.0000
2	8TX	1.0000
3	75K	1.0000
4	URC	1.0000
5	5JL	1.0000
6	XAZ	0.9986
7	5JQ	0.9980
8	QBK	0.9929
9	BGC	0.9814
10	9DG	0.9800
11	XAN	0.9748
12	CWM	0.9743
13	M6N	0.9742
14	141	0.9740
15	Q24	0.9735
16	A2F	0.9735
17	AZ8	0.9730
18	ES0	0.9728
19	M5K	0.9727
20	AQO	0.9726
21	PE0	0.9726
22	AZA	0.9726
23	AZG	0.9726
24	KT7	0.9723
25	1XM	0.9723
26	MEW	0.9721
27	J9W	0.9720
28	IGA	0.9719
29	MUA	0.9711
30	6AP	0.9711
31	AJ2	0.9703
32	290	0.9698
33	DX4	0.9698
34	6GU	0.9696
35	2D0	0.9692
36	YH7	0.9690
37	CFP	0.9690
38	4HC	0.9681
39	BOA	0.9673
40	Q88	0.9659
41	ET2	0.9655
42	0FO	0.9651
43	GLC	0.9650
44	XHP	0.9647
45	QX4	0.9642
46	OTW	0.9640
47	5VM	0.9634
48	M1Q	0.9629
49	VGD	0.9623
50	4ME	0.9623
51	B62	0.9615
52	4MU	0.9605
53	XQ0	0.9603
54	BCP	0.9603
55	2AK	0.9601
56	1P8	0.9598
57	HH5	0.9598
58	36R	0.9595
59	ES2	0.9593
60	CLW	0.9591
61	0CU	0.9591
62	DQU	0.9588
63	MRW	0.9577
64	EV0	0.9576
65	44W	0.9576
66	HMH	0.9573
67	MVN	0.9564
68	AS3	0.9559
69	CWJ	0.9552
70	4M0	0.9538
71	DRL	0.9532
72	FA0	0.9525
73	BHA	0.9524
74	DOB	0.9521
75	DIN	0.9520
76	A7W	0.9519
77	S76	0.9515
78	NOJ	0.9514
79	FYU	0.9513
80	MO8	0.9510
81	5NU	0.9510
82	5CU	0.9509
83	9MG	0.9506
84	INE	0.9506
85	2EC	0.9505
86	EA1	0.9498
87	6VD	0.9497
88	92K	0.9494
89	0P6	0.9491
90	FBB	0.9485
91	IV2	0.9481
92	7B4	0.9480
93	BZX	0.9479
94	RXA	0.9475
95	5Q0	0.9474
96	FDB	0.9473
97	8WT	0.9473
98	NQ	0.9470
99	7ME	0.9469
100	HQY	0.9468
101	4HM	0.9467
102	HQD	0.9466
103	1NP	0.9465
104	APZ	0.9463
105	5SG	0.9463
106	H42	0.9462
107	2AL	0.9461
108	JND	0.9460
109	KIB	0.9459
110	5IQ	0.9457
111	KUF	0.9456
112	AZ9	0.9454
113	ZZT	0.9453
114	6ME	0.9453
115	H33	0.9450
116	ES1	0.9448
117	4YS	0.9447
118	PH2	0.9447
119	UEG	0.9447
120	GCS	0.9445
121	K2T	0.9443
122	24W	0.9443
123	KIA	0.9442
124	2K4	0.9442
125	VK3	0.9441
126	3DM	0.9441
127	CWS	0.9440
128	10L	0.9438
129	44V	0.9437
130	2A7	0.9435
131	B57	0.9434
132	1XN	0.9433
133	6AI	0.9433
134	B53	0.9433
135	N5J	0.9432
136	JBH	0.9431
137	1LM	0.9430
138	42C	0.9429
139	F60	0.9429
140	5H1	0.9428
141	VNL	0.9427
142	JPZ	0.9425
143	1SQ	0.9424
144	14O	0.9423
145	86J	0.9423
146	G3F	0.9423
147	8CM	0.9422
148	0N7	0.9422
149	ADZ	0.9422
150	5MB	0.9421
151	8S0	0.9420
152	209	0.9419
153	94W	0.9418
154	5MI	0.9414
155	4TU	0.9413
156	OXC	0.9413
157	7WA	0.9411
158	5OB	0.9411
159	I3A	0.9411
160	UNC	0.9409
161	COU	0.9409
162	1LQ	0.9408
163	HPA	0.9408
164	3HA	0.9408
165	Q6T	0.9407
166	2HQ	0.9407
167	B60	0.9404
168	6RQ	0.9404
169	ES9	0.9404
170	7NI	0.9404
171	ADE	0.9403
172	MS9	0.9400
173	FOT	0.9399
174	HJP	0.9399
175	AKH	0.9398
176	JBK	0.9394
177	D07	0.9392
178	2AQ	0.9391
179	7HQ	0.9391
180	RM1	0.9390
181	M1E	0.9388
182	ODO	0.9388
183	BP1	0.9387
184	ORO	0.9386
185	3F0	0.9384
186	4AA	0.9383
187	BZ3	0.9383
188	DBH	0.9382
189	11S	0.9382
190	SHA	0.9382
191	LZM	0.9382
192	3M0	0.9379
193	TWO	0.9379
194	7HP	0.9378
195	V55	0.9378
196	NID	0.9378
197	HMU	0.9377
198	CLZ	0.9376
199	4XH	0.9375
200	JB5	0.9375
201	F0J	0.9375
202	P92	0.9375
203	FE DB1	0.9374
204	9HX	0.9374
205	4FS	0.9373
206	OCH	0.9372
207	AX7	0.9370
208	9DA	0.9368
209	03V	0.9367
210	ES5	0.9367
211	BTE	0.9364
212	MAQ	0.9364
213	IJZ	0.9362
214	2MI	0.9361
215	8NX	0.9360
216	QPR	0.9360
217	PQ0	0.9360
218	J9T	0.9359
219	ES4	0.9357
220	FK1	0.9356
221	HH8	0.9355
222	H4N	0.9354
223	SYV	0.9353
224	6MP	0.9352
225	5XC	0.9350
226	270	0.9350
227	R8V	0.9349
228	7VS	0.9347
229	2ZQ	0.9345
230	K3Q	0.9345
231	J9Q	0.9341
232	XYP	0.9341
233	M0W	0.9340
234	PM6	0.9339
235	AX3	0.9338
236	PYQ	0.9336
237	SVN	0.9335
238	KJU	0.9335
239	AHR	0.9335
240	NDM	0.9332
241	5WY	0.9331
242	34D	0.9330
243	42A	0.9330
244	67N	0.9329
245	XQG	0.9328
246	3Z8	0.9328
247	HLZ	0.9323
248	GZ8	0.9321
249	P3K	0.9321
250	KYA	0.9320
251	BEA	0.9319
252	UAN	0.9319
253	5RN	0.9317
254	8WO	0.9316
255	LXC	0.9316
256	QAT	0.9314
257	261	0.9313
258	2FQ	0.9312
259	N8Y	0.9312
260	20J	0.9311
261	AW5	0.9310
262	2A9	0.9310
263	JAE	0.9308
264	3ID	0.9308
265	12B	0.9308
266	7ZE	0.9307
267	GM7	0.9304
268	7W4	0.9304
269	M1A	0.9304
270	GAL	0.9303
271	GJS	0.9301
272	23A	0.9301
273	ISN	0.9300
274	ABV	0.9299
275	O72	0.9298
276	0W8	0.9298
277	C2U	0.9295
278	M1H	0.9294
279	97T	0.9293
280	F9Y	0.9290
281	PXL	0.9290
282	8NY	0.9289
283	5WV	0.9288
284	7W1	0.9284
285	EQT	0.9278
286	4CS	0.9277
287	7MU	0.9276
288	SWD	0.9276
289	DOR	0.9275
290	KJH	0.9274
291	24B	0.9271
292	PRF	0.9270
293	9R5	0.9269
294	2H5	0.9269
295	3PF	0.9268
296	J6W	0.9267
297	ICO	0.9266
298	GDE	0.9266
299	DMD	0.9265
300	SXS	0.9265
301	82I	0.9265
302	3MG	0.9265
303	SAL	0.9264
304	PRZ	0.9264
305	KKN	0.9263
306	4JQ	0.9263
307	G3E	0.9263
308	9EW	0.9261
309	II6	0.9261
310	5RO	0.9259
311	GAB	0.9258
312	YQA	0.9258
313	8ZE	0.9257
314	F81	0.9255
315	SWA	0.9254
316	9KT	0.9251
317	2LY	0.9251
318	SOE	0.9251
319	12Q	0.9250
320	JA8	0.9250
321	PXM	0.9250
322	TEP	0.9249
323	8H8	0.9249
324	495	0.9247
325	MQN	0.9246
326	5GU	0.9245
327	8GC	0.9245
328	K22	0.9244
329	FP1	0.9244
330	6M9	0.9243
331	JTH	0.9243
332	DHK	0.9243
333	5QY	0.9243
334	F05	0.9242
335	2FG	0.9242
336	HLR	0.9241
337	E7Z	0.9240
338	Z5P	0.9240
339	HHR	0.9238
340	680	0.9237
341	GIO	0.9237
342	JBQ	0.9236
343	TTL	0.9235
344	QX2	0.9234
345	MT0	0.9233
346	AJV	0.9232
347	VOH	0.9232
348	3NT	0.9230
349	D1X	0.9230
350	1DW	0.9229
351	JBE	0.9228
352	3AB	0.9228
353	B2J	0.9228
354	ZZ3	0.9226
355	GXY	0.9226
356	3WA	0.9225
357	N2I	0.9225
358	ES7	0.9224
359	1P7	0.9223
360	3HB	0.9222
361	5RG	0.9221
362	3IT	0.9219
363	PDC	0.9219
364	2F6	0.9217
365	QAS	0.9215
366	HZQ	0.9213
367	5HN	0.9212
368	TH7	0.9212
369	92P	0.9211
370	1M2	0.9209
371	Q71	0.9209
372	4Z4	0.9208
373	XIY	0.9208
374	0RW	0.9204
375	BPU	0.9203
376	R8S	0.9203
377	5QX	0.9202
378	EUG	0.9200
379	4M4	0.9200
380	NMJ	0.9199
381	SE2	0.9197
382	GTQ	0.9196
383	ADK	0.9195
384	3MA	0.9195
385	OVV	0.9193
386	3Z7	0.9192
387	6M4	0.9192
388	HHA	0.9190
389	BE2	0.9190
390	CTS	0.9190
391	4SV	0.9189
392	LI6	0.9188
393	D48	0.9188
394	MR1	0.9186
395	NSP	0.9186
396	TSS	0.9185
397	G5V	0.9184
398	54G	0.9184
399	X0W	0.9184
400	3U4	0.9184
401	2LP	0.9183
402	UFO	0.9183
403	KDV	0.9181
404	HQT	0.9181
405	149	0.9181
406	DBJ	0.9180
407	4JT	0.9180
408	WCE	0.9179
409	IPB	0.9178
410	7WR	0.9178
411	5M0	0.9176
412	J5I	0.9175
413	KJY	0.9175
414	4XR	0.9175
415	3MB	0.9174
416	M0Q	0.9173
417	5B1	0.9172
418	KOJ	0.9172
419	1WD	0.9170
420	ASO	0.9170
421	0TU	0.9170
422	NTZ	0.9170
423	5WX	0.9169
424	4YO	0.9168
425	ES6	0.9167
426	37T	0.9167
427	FDR	0.9167
428	M2K	0.9166
429	428	0.9165
430	G6D	0.9165
431	4FA	0.9165
432	BDP	0.9163
433	F12	0.9162
434	B5D	0.9162
435	R9Y	0.9162
436	E35	0.9160
437	OVM	0.9159
438	TT4	0.9159
439	QUZ	0.9158
440	E7S	0.9158
441	JKE	0.9157
442	TDR	0.9157
443	4XV	0.9155
444	K32	0.9154
445	3BZ	0.9154
446	C2Y	0.9154
447	CTL	0.9152
448	069	0.9151
449	G2F	0.9150
450	TOF	0.9149
451	1GN	0.9147
452	2KA	0.9146
453	EMZ	0.9146
454	DIU	0.9144
455	293	0.9142
456	6NT	0.9141
457	LDR	0.9140
458	LSA	0.9140
459	PEY	0.9139
460	5UC	0.9139
461	53C	0.9139
462	GIV	0.9139
463	GZL	0.9139
464	2ZM	0.9138
465	BRT	0.9136
466	NPY	0.9135
467	LGC	0.9135
468	7WV	0.9133
469	2ZV	0.9130
470	9FL	0.9127
471	52C	0.9127
472	6CS	0.9126
473	SHG	0.9124
474	DIE	0.9123
475	HIS	0.9123
476	39A	0.9122
477	BMA	0.9122
478	QWW	0.9120
479	4NC	0.9120
480	5MK	0.9118
481	1PT	0.9118
482	329	0.9117
483	A29	0.9116
484	0HO	0.9115
485	XM0	0.9115
486	32X	0.9113
487	39U	0.9113
488	3OC	0.9112
489	3NY	0.9110
490	URF	0.9109
491	8W9	0.9108
492	25W	0.9108
493	GLA	0.9107
494	PQK	0.9106
495	2FY	0.9105
496	PFB	0.9104
497	0HN	0.9102
498	SKM	0.9100
499	WBU	0.9099
500	2HU	0.9097
501	SYA	0.9097
502	C9E	0.9093
503	DNA	0.9091
504	5NI	0.9090
505	XYD	0.9089
506	1F1	0.9088
507	ESI	0.9088
508	SKA	0.9088
509	DPZ	0.9087
510	K17	0.9086
511	NPO	0.9084
512	6NI	0.9083
513	OMD	0.9083
514	MCT	0.9082
515	6F0	0.9081
516	OW4	0.9081
517	9AP	0.9080
518	2AC	0.9078
519	ZVO	0.9077
520	4XS	0.9077
521	ICP	0.9077
522	DHB	0.9077
523	7B3	0.9075
524	JG8	0.9075
525	HLD	0.9075
526	GRE	0.9075
527	PHT	0.9075
528	9TZ	0.9074
529	A13	0.9074
530	PYD	0.9072
531	JZ2	0.9071
532	2MP	0.9071
533	34A	0.9071
534	0F9	0.9071
535	KTW	0.9071
536	4JJ	0.9070
537	NTM	0.9070
538	FRU	0.9069
539	TH0	0.9068
540	F31	0.9068
541	0W1	0.9067
542	DEN	0.9067
543	BK9	0.9066
544	INO	0.9066
545	4ZE	0.9065
546	43M	0.9065
547	4CL	0.9065
548	3A9	0.9065
549	GCU	0.9065
550	XBZ	0.9064
551	HNQ	0.9063
552	FGZ	0.9062
553	1MC	0.9062
554	M2H	0.9062
555	XX2	0.9062
556	X05	0.9062
557	0JD	0.9061
558	IFL	0.9061
559	RSF	0.9061
560	MWM	0.9060
561	TGX	0.9060
562	CFF	0.9059
563	NGO	0.9058
564	2BG	0.9057
565	27Y	0.9056
566	HQJ	0.9056
567	EJZ	0.9056
568	PZI	0.9056
569	XYS	0.9056
570	F5B	0.9055
571	BR9	0.9055
572	DNF	0.9055
573	DFB	0.9055
574	QOS	0.9054
575	A1U	0.9054
576	JZ3	0.9054
577	FBG	0.9051
578	93K	0.9050
579	4HO	0.9049
580	6KT	0.9049
581	LDP	0.9049
582	3FH	0.9049
583	MZG	0.9047
584	TM7	0.9047
585	SX1	0.9047
586	MBG	0.9046
587	MYJ	0.9045
588	5MH	0.9044
589	15E	0.9044
590	NOY	0.9044
591	TFU	0.9042
592	TBS	0.9041
593	0GZ	0.9040
594	ABI	0.9039
595	DNC	0.9039
596	PD2	0.9039
597	BZI	0.9038
598	FUL	0.9037
599	TTY	0.9036
600	3HM	0.9035
601	NDH	0.9034
602	7VJ	0.9033
603	H5B	0.9032
604	15L	0.9031
605	MWJ	0.9031
606	LT2	0.9031
607	Z82	0.9030
608	4A3	0.9029
609	JFJ	0.9027
610	GTR	0.9027
611	X8D	0.9026
612	E5X	0.9026
613	4BY	0.9025
614	LZ1	0.9024
615	QSH	0.9023
616	HBA	0.9023
617	PX7	0.9022
618	RD4	0.9021
619	CH9	0.9021
620	JAW	0.9020
621	226	0.9019
622	NAG	0.9019
623	JU2	0.9017
624	2HO	0.9017
625	GLY PRO	0.9017
626	MPI	0.9016
627	0R1	0.9015
628	IND	0.9015
629	7MX	0.9015
630	FHB	0.9014
631	NNO	0.9014
632	GOX	0.9013
633	4JO	0.9011
634	X09	0.9011
635	PHB	0.9011
636	JIF	0.9010
637	FLV	0.9007
638	8XQ	0.9007
639	YSO	0.9006
640	GVH	0.9005
641	NDG	0.9005
642	K37	0.9004
643	12T	0.9003
644	HX3	0.9003
645	G12	0.9003
646	3R6	0.9003
647	RPQ	0.9003
648	P9P	0.8999
649	3SK	0.8999
650	9CA	0.8996
651	GTL	0.8995
652	4JP	0.8993
653	15N	0.8992
654	VNJ	0.8992
655	DGJ	0.8991
656	0FN	0.8991
657	RIP	0.8991
658	ISE	0.8991
659	INS	0.8990
660	BZF	0.8989
661	0R0	0.8989
662	5JC	0.8988
663	3RK	0.8988
664	KLW	0.8986
665	JUG	0.8986
666	MAN	0.8986
667	GIF	0.8986
668	173	0.8985
669	ALL	0.8985
670	3XX	0.8983
671	0FK	0.8983
672	NIZ	0.8983
673	HT4	0.8982
674	4ZC	0.8982
675	35C	0.8981
676	WOO	0.8981
677	SJ5	0.8981
678	6M1	0.8980
679	IUR	0.8979
680	T6C	0.8978
681	HKD	0.8978
682	GBD	0.8977
683	1KP	0.8977
684	1IT	0.8977
685	2K8	0.8977
686	TLD	0.8976
687	ZWZ	0.8976
688	47J	0.8974
689	DHQ	0.8974
690	BCU	0.8973
691	DHR	0.8973
692	SRO	0.8972
693	LKA	0.8971
694	2CK	0.8970
695	3AL	0.8970
696	7MH	0.8969
697	6UA	0.8968
698	KBG	0.8967
699	Q7A	0.8967
700	W81	0.8967
701	BZ2	0.8966
702	GCB	0.8966
703	8G0	0.8965
704	VXX	0.8965
705	GAF	0.8964
706	CKA	0.8961
707	NK	0.8961
708	EVA	0.8961
709	1WG	0.8960
710	I6G	0.8960
711	SOR	0.8960
712	0CT	0.8959
713	K97	0.8959
714	G1O	0.8958
715	2YU	0.8958
716	51R	0.8958
717	0MK	0.8958
718	CHB	0.8957
719	YRL	0.8957
720	BHO	0.8956
721	OVP	0.8953
722	IDM	0.8952
723	LYL	0.8950
724	JR2	0.8950
725	PAB	0.8948
726	9TW	0.8947
727	JB8	0.8947
728	ANN	0.8947
729	L5V	0.8946
730	JDN	0.8945
731	ISZ	0.8945
732	ZYR	0.8945
733	GAG	0.8944
734	X6X	0.8943
735	DRG	0.8942
736	ONR	0.8942
737	AGK	0.8942
738	GV9	0.8940
739	ZZ8	0.8940
740	QWN	0.8939
741	1P3	0.8938
742	MNM	0.8938
743	HBD	0.8936
744	M1Z	0.8935
745	60P	0.8934
746	GJP	0.8934
747	4VP	0.8934
748	PNZ	0.8934
749	BR8	0.8933
750	PFL	0.8932
751	OA3	0.8930
752	OXQ	0.8930
753	R8A	0.8929
754	4BL	0.8928
755	EOL	0.8928
756	MWP	0.8928
757	FUC	0.8928
758	GYE	0.8928
759	1AL	0.8927
760	AIN	0.8927
761	6LW	0.8926
762	42J	0.8925
763	1A7	0.8925
764	E1T	0.8925
765	QSB	0.8925
766	HHS	0.8924
767	4BZ	0.8923
768	TBP	0.8922
769	ARB	0.8922
770	1Y6	0.8919
771	DBX	0.8918
772	AA	0.8917
773	AEF	0.8916
774	AY4	0.8915
775	30G	0.8914
776	LCN	0.8913
777	FA3	0.8913
778	6BL	0.8912
779	174	0.8911
780	V6F	0.8909
781	BZJ	0.8908
782	F1A	0.8908
783	BSX	0.8907
784	1HN	0.8907
785	OW7	0.8906
786	717	0.8905
787	PYG	0.8905
788	Y8I	0.8904
789	6TZ	0.8904
790	IUP	0.8903
791	286	0.8903
792	ICB	0.8903
793	GCO	0.8903
794	4VS	0.8901
795	7I2	0.8900
796	AX2	0.8900
797	SR1	0.8900
798	TIU	0.8899
799	3DO	0.8898
800	344	0.8897
801	EYK	0.8897
802	PBZ	0.8896
803	6FZ	0.8896
804	JFD	0.8895
805	4MA	0.8895
806	23J	0.8894
807	BEN	0.8894
808	PHH	0.8893
809	PKU	0.8893
810	FBU	0.8892
811	13X	0.8892
812	GHM	0.8891
813	JZ9	0.8890
814	9ZE	0.8890
815	3ZB	0.8890
816	N7I	0.8890
817	826	0.8889
818	JP2	0.8889
819	XXR	0.8889
820	2CQ	0.8889
821	IF7	0.8889
822	BEZ	0.8889
823	PA1	0.8889
824	1X7	0.8888
825	8HC	0.8888
826	EXO	0.8888
827	4RU	0.8887
828	HA7	0.8886
829	AZF	0.8886
830	CKU	0.8886
831	150	0.8885
832	FUD	0.8884
833	APS	0.8882
834	KYD	0.8882
835	SW7	0.8880
836	HBO	0.8880
837	GT0	0.8879
838	BAM	0.8879
839	P72	0.8877
840	FDK	0.8877
841	NGT	0.8877
842	IPZ	0.8876
843	IFM	0.8873
844	2DR	0.8873
845	PEA	0.8872
846	UNJ	0.8871
847	QXW	0.8870
848	DEE	0.8870
849	A7H	0.8869
850	L3Q	0.8868
851	WDL	0.8866
852	GOG	0.8866
853	4P5	0.8866
854	NCA	0.8863
855	ASC	0.8862
856	TYL	0.8862
857	ZZZ	0.8861
858	CFI	0.8861
859	H7Y	0.8860
860	3QV	0.8860
861	ESP	0.8859
862	GXL	0.8859
863	G4D	0.8859
864	ANF	0.8857
865	NIO	0.8856
866	K8X	0.8855
867	5VL	0.8855
868	6PC	0.8854
869	12M	0.8853
870	OXZ	0.8852
871	DMJ	0.8850
872	5AN	0.8850
873	2ZX	0.8850
874	55D	0.8850
875	GVG	0.8849
876	AJY	0.8847
877	ERH	0.8847
878	IHB	0.8847
879	IAC	0.8847
880	FPY	0.8846
881	EXD	0.8845
882	1U1	0.8844
883	DFU	0.8843
884	GIM	0.8840
885	IFP	0.8840
886	ADA	0.8840
887	FBT	0.8839
888	JKZ	0.8838
889	JYB	0.8838
890	O2A	0.8838
891	NVU	0.8838
892	5ZE	0.8837
893	BPN	0.8837
894	FH2	0.8836
895	3AY	0.8835
896	FB1	0.8835
897	H8N	0.8833
898	GNL	0.8831
899	NSG	0.8831
900	HFB	0.8830
901	4KL	0.8829
902	JXN	0.8829
903	0XT	0.8829
904	P84	0.8828
905	IDH	0.8828
906	HA5	0.8828
907	AFR	0.8826
908	CN0	0.8826
909	Q77	0.8826
910	6MH	0.8824
911	MVL	0.8823
912	2MY	0.8822
913	3FA	0.8822
914	MJ2	0.8822
915	DX3	0.8822
916	FCB	0.8822
917	61M	0.8822
918	5NE	0.8819
919	DUB	0.8819
920	PJW	0.8817
921	AEZ	0.8817
922	J01	0.8817
923	MBD	0.8814
924	TM4	0.8814
925	45L	0.8814
926	EN1	0.8814
927	ROI	0.8813
928	FBW	0.8813
929	YIO	0.8811
930	RAM	0.8811
931	FBV	0.8810
932	NBZ	0.8808
933	PZA	0.8808
934	N3W	0.8808
935	R20	0.8808
936	TXW	0.8807
937	VGL	0.8806
938	2C9	0.8806
939	YCP	0.8806
940	AC6	0.8804
941	45C	0.8803
942	RMN	0.8803
943	BCF	0.8802
944	OTD	0.8802
945	2MN	0.8801
946	F4Z	0.8801
947	EKZ	0.8801
948	OTR	0.8801
949	39O	0.8800
950	GTZ	0.8800
951	3MC	0.8800
952	GOO	0.8799
953	BBF	0.8798
954	NCD	0.8798
955	GMN	0.8797
956	F2W	0.8797
957	GCV	0.8796
958	8OZ	0.8795
959	3CE	0.8793
960	HXX	0.8793
961	M4E	0.8792
962	67X	0.8791
963	K82	0.8791
964	K6X	0.8790
965	MFB	0.8790
966	2CM	0.8789
967	RB5	0.8789
968	FBM	0.8788
969	7D2	0.8788
970	IBF	0.8787
971	SF9	0.8787
972	8NB	0.8787
973	NTN	0.8786
974	5FN	0.8785
975	ARP	0.8784
976	9FE	0.8784
977	CFA	0.8784
978	RHU	0.8784
979	0LH	0.8782
980	FFP	0.8781
981	AEH	0.8781
982	V1T	0.8780
983	UFV	0.8779
984	NGW	0.8778
985	28N	0.8778
986	4VY	0.8777
987	M5N	0.8776
988	8XL	0.8774
989	C2A	0.8773
990	GLT	0.8772
991	27B	0.8772
992	SLC	0.8771
993	HHT	0.8771
994	THA	0.8770
995	H76	0.8769
996	7FF	0.8767
997	UNU	0.8767
998	PHU	0.8767
999	XXP	0.8767
1000	LNR	0.8764
1001	6R8	0.8764
1002	AMG	0.8763
1003	CIT	0.8763
1004	BPY	0.8762
1005	FLM	0.8761
1006	FCA	0.8760
1007	06B	0.8760
1008	4JM	0.8760
1009	F69	0.8760
1010	DQN	0.8759
1011	RM4	0.8759
1012	XCZ	0.8758
1013	GNM	0.8758
1014	HTP	0.8757
1015	091	0.8756
1016	60Q	0.8754
1017	ZXD	0.8754
1018	GSY	0.8753
1019	FA1	0.8753
1020	2HC	0.8753
1021	GDL	0.8753
1022	BDF	0.8751
1023	A65	0.8750
1024	RIB	0.8749
1025	275	0.8748
1026	4NM	0.8746
1027	FUF	0.8746
1028	463	0.8745
1029	MHK	0.8742
1030	GLF	0.8741
1031	M4T	0.8741
1032	2GS	0.8741
1033	TC7	0.8740
1034	49O	0.8739
1035	HY3	0.8738
1036	S0E	0.8737
1037	FHN	0.8736
1038	RNS	0.8736
1039	L99	0.8735
1040	4WL	0.8735
1041	ESX	0.8734
1042	TPA	0.8734
1043	X0V	0.8732
1044	6XI	0.8731
1045	QIC	0.8729
1046	AH8	0.8728
1047	68A	0.8728
1048	NGA	0.8728
1049	KBB	0.8727
1050	F9P	0.8727
1051	OAA	0.8726
1052	ABE	0.8725
1053	CRS	0.8725
1054	J9N	0.8725
1055	PHE	0.8725
1056	FAN	0.8724
1057	K25	0.8724
1058	SG2	0.8723
1059	1U6	0.8722
1060	F3B	0.8719
1061	LMR	0.8719
1062	14J	0.8719
1063	5OF	0.8719
1064	259	0.8717
1065	FPK	0.8717
1066	GF4	0.8717
1067	0TR	0.8715
1068	NLA	0.8715
1069	8GK	0.8714
1070	54X	0.8713
1071	XUL	0.8712
1072	PBA	0.8712
1073	MZB	0.8709
1074	6Q3	0.8706
1075	4ZA	0.8706
1076	P9E	0.8704
1077	GCW	0.8703
1078	RCO	0.8703
1079	94N	0.8702
1080	MT5	0.8702
1081	RBL	0.8702
1082	6OT	0.8701
1083	URQ	0.8701
1084	AC0	0.8701
1085	TCZ	0.8699
1086	4I8	0.8697
1087	NCT	0.8696
1088	23W	0.8695
1089	HPT	0.8695
1090	PBC	0.8691
1091	3BU	0.8691
1092	1WC	0.8690
1093	XYL	0.8688
1094	DQA	0.8687
1095	KTJ	0.8686
1096	SRT	0.8684
1097	F4E	0.8683
1098	EGR	0.8683
1099	IP0	0.8683
1100	ENL	0.8682
1101	XRG	0.8673
1102	5NS	0.8673
1103	K34	0.8672
1104	JZ1	0.8672
1105	KP6	0.8670
1106	MAJ	0.8670
1107	AUD	0.8670
1108	2JK	0.8668
1109	LT8	0.8667
1110	SF6	0.8666
1111	549	0.8662
1112	URA	0.8660
1113	FLC	0.8660
1114	JLZ	0.8657
1115	1XA	0.8657
1116	9KH	0.8656
1117	MPV	0.8655
1118	7CZ	0.8654
1119	SNO	0.8654
1120	3R4	0.8653
1121	4FH	0.8650
1122	SVD	0.8650
1123	BNT	0.8648
1124	PCI	0.8647
1125	TSU	0.8647
1126	FCR	0.8644
1127	RNO	0.8644
1128	4JL	0.8644
1129	AN3	0.8643
1130	5CL	0.8643
1131	X0U	0.8642
1132	TAR	0.8641
1133	46P	0.8641
1134	5LA	0.8638
1135	KFH	0.8636
1136	FF2	0.8635
1137	P7Y	0.8634
1138	1DV	0.8632
1139	GO8	0.8631
1140	3CH	0.8631
1141	FBA	0.8630
1142	LG3	0.8630
1143	N8P	0.8629
1144	DA4	0.8626
1145	TLA	0.8625
1146	PAC	0.8624
1147	SYR	0.8622
1148	FA6	0.8618
1149	DHS	0.8616
1150	FQI	0.8613
1151	DE5	0.8610
1152	MMA	0.8609
1153	IWT	0.8607
1154	3MH	0.8606
1155	QQQ	0.8606
1156	5TY	0.8606
1157	BVF	0.8606
1158	K5W	0.8604
1159	LG5	0.8603
1160	TRA	0.8601
1161	4V2	0.8596
1162	N7P	0.8595
1163	PZM	0.8593
1164	5VJ	0.8589
1165	9LI	0.8589
1166	6QF	0.8587
1167	PCA	0.8587
1168	L22	0.8581
1169	PRY	0.8580
1170	26D	0.8579
1171	HGQ	0.8579
1172	282	0.8578
1173	CYT	0.8577
1174	HBX	0.8575
1175	4H2	0.8574
1176	IQ5	0.8574
1177	3TJ	0.8570
1178	4A5	0.8570
1179	QSC	0.8570
1180	7WG	0.8569
1181	JZ4	0.8568
1182	XQK	0.8567
1183	PIY	0.8567
1184	B3R	0.8566
1185	OK7	0.8565
1186	SYN	0.8563
1187	PYF	0.8555
1188	7N0	0.8555
1189	DYA	0.8554
1190	LPK	0.8553
1191	ICT	0.8553
1192	LRH	0.8550
1193	8GF	0.8548
1194	KTA	0.8547
1195	YTX	0.8543
1196	J1Z	0.8541
1197	WOT	0.8540
1198	IOS	0.8537
1199	HEW	0.8537
1200	N0Z	0.8536
1201	P80	0.8530
1202	M3T	0.8526
1203	ZB1	0.8520
1204	TZE	0.8520
1205	4NB	0.8514

Similar Binding Sites (Proteins are less than 50% similar to leader)

Pocket No.: 1; Query (leader) PDB : 3H22; Ligand: B53; 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: 3h22.bio2) has 16 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 3H22; Ligand: B53; 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: 3h22.bio2) has 16 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 3H22; Ligand: B53; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 3) in the query (biounit: 3h22.bio1) has 22 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 4; Query (leader) PDB : 3H22; Ligand: B53; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 4) in the query (biounit: 3h22.bio1) has 22 residues
No:	Leader PDB	Ligand	Sequence Similarity

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