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Showing PDB: 3H2A

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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

Class         : .ZIP | .CSV

Receptor

PDB id	Resolution	Class	Description	Source	Keywords
3H2A	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

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
B57	A:901; B:902;	Valid; Valid;	none; none;	ic50 = 108.9 uM		171.114	C4 H5 N5 O3	C1(=C...
SO4	A:278; A:279; A:280; B:278; B:279; B:280; B:281;	Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid;	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: B57; Similar ligands found: 2

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	B57	1	1
2	680	0.5	0.966102

Similar Ligands (3D)

Ligand no: 1; Ligand: B57; Similar ligands found: 1124

No:	Ligand	Similarity coefficient
1	BGC	1.0000
2	G3F	0.9880
3	ASO	0.9856
4	GCS	0.9807
5	B53	0.9793
6	GLC	0.9785
7	GRE	0.9763
8	8S0	0.9754
9	FDB	0.9752
10	NOJ	0.9751
11	6M1	0.9747
12	NOY	0.9738
13	6F0	0.9732
14	G2F	0.9722
15	2ZV	0.9719
16	IFL	0.9699
17	LCN	0.9696
18	4M0	0.9693
19	FA0	0.9690
20	5NU	0.9689
21	5CU	0.9689
22	LGC	0.9684
23	TEP	0.9676
24	DOB	0.9652
25	BHA	0.9641
26	GAL	0.9616
27	NDM	0.9605
28	PYQ	0.9594
29	209	0.9580
30	XAN	0.9578
31	PE0	0.9576
32	3MG	0.9568
33	9DG	0.9568
34	AZA	0.9568
35	M1Q	0.9567
36	37T	0.9560
37	IFM	0.9557
38	4HC	0.9553
39	GUN	0.9551
40	H33	0.9550
41	IPB	0.9549
42	SHG	0.9548
43	KBG	0.9546
44	2H5	0.9546
45	XQ0	0.9545
46	CTS	0.9544
47	MEW	0.9542
48	94B	0.9541
49	9KT	0.9541
50	AZ8	0.9540
51	Q24	0.9539
52	AQO	0.9535
53	PRF	0.9535
54	7VJ	0.9533
55	141	0.9531
56	3F0	0.9523
57	M5K	0.9519
58	A7W	0.9518
59	J9W	0.9514
60	IGA	0.9514
61	F1A	0.9513
62	948	0.9508
63	LXC	0.9506
64	DIN	0.9505
65	03V	0.9502
66	KJY	0.9501
67	PFB	0.9501
68	NQ	0.9501
69	AJ2	0.9492
70	PXL	0.9492
71	PQ0	0.9490
72	67N	0.9490
73	ADZ	0.9488
74	SAL	0.9487
75	0P6	0.9486
76	TTY	0.9485
77	6AP	0.9482
78	MRW	0.9481
79	XYP	0.9480
80	A2F	0.9474
81	23A	0.9473
82	MT5	0.9472
83	82I	0.9472
84	MO8	0.9471
85	OXZ	0.9470
86	7W1	0.9468
87	M1A	0.9467
88	PA1	0.9465
89	JBQ	0.9465
90	M6N	0.9464
91	4AA	0.9464
92	B60	0.9463
93	TTL	0.9463
94	12Q	0.9463
95	3HA	0.9461
96	BE2	0.9459
97	AFR	0.9458
98	HQD	0.9457
99	NTZ	0.9457
100	KJH	0.9457
101	3M0	0.9456
102	3DO	0.9456
103	DBH	0.9454
104	CN0	0.9453
105	7B4	0.9452
106	GLF	0.9451
107	RXA	0.9450
108	FE DB1	0.9449
109	2EC	0.9449
110	UEG	0.9447
111	4FS	0.9447
112	DRL	0.9446
113	IV2	0.9445
114	AZ9	0.9444
115	3DM	0.9443
116	COU	0.9440
117	X05	0.9439
118	LI6	0.9437
119	URC	0.9437
120	FBT	0.9437
121	1XM	0.9436
122	0N7	0.9435
123	YH7	0.9435
124	OA3	0.9434
125	B55	0.9434
126	DPZ	0.9433
127	3WA	0.9433
128	5QX	0.9433
129	12B	0.9432
130	EA1	0.9431
131	AHR	0.9430
132	8CM	0.9428
133	39A	0.9428
134	EQT	0.9425
135	SOE	0.9424
136	9MG	0.9424
137	MAQ	0.9421
138	G5V	0.9421
139	TBS	0.9420
140	FYU	0.9419
141	BTY	0.9418
142	VK3	0.9416
143	ISE	0.9416
144	H42	0.9416
145	CFP	0.9416
146	ISN	0.9413
147	E7Z	0.9412
148	HTP	0.9410
149	Q88	0.9410
150	KT7	0.9409
151	CLZ	0.9409
152	290	0.9407
153	TH7	0.9407
154	JUG	0.9406
155	HQT	0.9405
156	HMH	0.9405
157	CWS	0.9404
158	ES0	0.9404
159	BOA	0.9402
160	3PF	0.9401
161	JBE	0.9395
162	JB5	0.9394
163	AZG	0.9393
164	2D0	0.9393
165	2AQ	0.9393
166	BZX	0.9393
167	CFF	0.9392
168	3U4	0.9391
169	HHA	0.9391
170	CWM	0.9391
171	4SV	0.9391
172	XAZ	0.9387
173	ES5	0.9386
174	DX4	0.9385
175	5Q0	0.9384
176	QBK	0.9381
177	FH2	0.9381
178	8TX	0.9379
179	SYV	0.9378
180	KUF	0.9377
181	FUL	0.9376
182	GLA	0.9374
183	ZVO	0.9373
184	BEA	0.9373
185	GIO	0.9372
186	0CU	0.9371
187	JIF	0.9368
188	32X	0.9368
189	BTE	0.9367
190	24W	0.9367
191	FDK	0.9366
192	G1O	0.9365
193	JBK	0.9363
194	NPO	0.9363
195	PHB	0.9363
196	2KA	0.9360
197	DMD	0.9359
198	5SG	0.9359
199	OCH	0.9358
200	GIM	0.9357
201	INS	0.9357
202	3ID	0.9356
203	HMU	0.9356
204	P3K	0.9356
205	DBJ	0.9355
206	AX7	0.9354
207	MS9	0.9353
208	75K	0.9352
209	PXM	0.9352
210	1NP	0.9351
211	7NI	0.9350
212	CTL	0.9349
213	ES6	0.9347
214	B62	0.9347
215	APZ	0.9346
216	BDP	0.9346
217	2FY	0.9345
218	14O	0.9345
219	F81	0.9342
220	K17	0.9342
221	1GN	0.9342
222	5JQ	0.9342
223	GAF	0.9341
224	LKA	0.9341
225	HQY	0.9340
226	HBD	0.9339
227	270	0.9338
228	ES1	0.9336
229	DHQ	0.9334
230	3RK	0.9334
231	5QY	0.9332
232	3IT	0.9331
233	JAE	0.9330
234	5WY	0.9329
235	K32	0.9328
236	O72	0.9327
237	5WV	0.9324
238	HH5	0.9323
239	5RO	0.9323
240	MNM	0.9322
241	SKA	0.9322
242	XHP	0.9321
243	GLT	0.9320
244	25W	0.9320
245	SVN	0.9318
246	6AI	0.9317
247	1SQ	0.9316
248	3Z8	0.9316
249	1LM	0.9315
250	1LQ	0.9313
251	KIB	0.9312
252	KIA	0.9312
253	Q6T	0.9312
254	MT0	0.9311
255	INE	0.9311
256	7HQ	0.9310
257	FUC	0.9310
258	5IQ	0.9309
259	4YS	0.9309
260	5H1	0.9309
261	NPY	0.9309
262	HZQ	0.9308
263	DIE	0.9308
264	GCU	0.9308
265	MAN	0.9307
266	1WD	0.9306
267	JKE	0.9306
268	I3A	0.9306
269	6RQ	0.9305
270	ABV	0.9305
271	5WX	0.9304
272	DFB	0.9303
273	PRZ	0.9302
274	RM1	0.9302
275	JFD	0.9301
276	D48	0.9298
277	SWA	0.9296
278	0FO	0.9295
279	44V	0.9292
280	DMJ	0.9292
281	6VD	0.9292
282	7WV	0.9292
283	G3E	0.9292
284	AEZ	0.9291
285	X6X	0.9290
286	PAB	0.9290
287	G6D	0.9289
288	F60	0.9288
289	GXL	0.9287
290	1Y6	0.9287
291	5RN	0.9286
292	ET2	0.9285
293	4Z4	0.9284
294	QX2	0.9284
295	7W4	0.9282
296	MFB	0.9282
297	N5J	0.9280
298	5MB	0.9280
299	11S	0.9280
300	BCP	0.9280
301	QUZ	0.9278
302	EJZ	0.9277
303	2K4	0.9277
304	JU2	0.9275
305	ALL	0.9275
306	JPZ	0.9274
307	5MI	0.9274
308	5JL	0.9273
309	15L	0.9271
310	4JT	0.9271
311	K3Q	0.9269
312	6GU	0.9269
313	AC6	0.9268
314	QWN	0.9268
315	4ME	0.9268
316	4NC	0.9266
317	2MI	0.9265
318	44W	0.9264
319	K22	0.9263
320	LZM	0.9261
321	7MH	0.9261
322	WOO	0.9260
323	SE2	0.9260
324	VGD	0.9260
325	5WU	0.9259
326	SHA	0.9259
327	JBH	0.9259
328	OTW	0.9257
329	QWW	0.9255
330	5XC	0.9254
331	ES9	0.9254
332	ICO	0.9253
333	P92	0.9252
334	HJP	0.9251
335	AKH	0.9251
336	FUF	0.9251
337	8ZE	0.9251
338	CLW	0.9249
339	HLZ	0.9249
340	826	0.9249
341	FBB	0.9248
342	2ZQ	0.9248
343	2FG	0.9248
344	86J	0.9247
345	NID	0.9246
346	7VS	0.9246
347	DGJ	0.9246
348	6ME	0.9245
349	T6C	0.9245
350	F05	0.9244
351	BMA	0.9244
352	5OB	0.9244
353	HFB	0.9242
354	ODO	0.9242
355	2FQ	0.9241
356	PBZ	0.9239
357	8IG	0.9239
358	P72	0.9238
359	24B	0.9238
360	EVA	0.9238
361	XYS	0.9238
362	RM4	0.9237
363	AJV	0.9236
364	35C	0.9236
365	KKN	0.9235
366	ES2	0.9235
367	149	0.9235
368	1PT	0.9235
369	36R	0.9234
370	UAN	0.9233
371	DQU	0.9233
372	FK1	0.9233
373	7ZE	0.9232
374	ADK	0.9230
375	4XH	0.9230
376	4MA	0.9229
377	GIV	0.9229
378	495	0.9228
379	9EW	0.9228
380	BZ3	0.9227
381	ZZT	0.9227
382	1P8	0.9225
383	RPQ	0.9224
384	R8V	0.9223
385	H4N	0.9222
386	8H8	0.9221
387	SYA	0.9221
388	ES7	0.9220
389	2A9	0.9220
390	174	0.9219
391	SW7	0.9218
392	AZF	0.9218
393	XM0	0.9218
394	LYL	0.9217
395	4JQ	0.9216
396	6M9	0.9214
397	SRT	0.9212
398	L3Q	0.9212
399	QX4	0.9212
400	JTH	0.9211
401	2CK	0.9210
402	R9Y	0.9209
403	MQN	0.9207
404	GOG	0.9206
405	10L	0.9206
406	7B3	0.9205
407	1XN	0.9205
408	SOR	0.9205
409	42A	0.9203
410	DQN	0.9202
411	5VM	0.9199
412	XX2	0.9198
413	1DW	0.9198
414	06B	0.9197
415	MBG	0.9197
416	Z82	0.9197
417	M0W	0.9194
418	M1E	0.9192
419	42C	0.9191
420	M1H	0.9191
421	GXY	0.9190
422	K2T	0.9190
423	FCB	0.9190
424	BCF	0.9189
425	GCB	0.9189
426	QPR	0.9189
427	MUA	0.9188
428	HH8	0.9188
429	BDF	0.9187
430	J5I	0.9186
431	M0Q	0.9186
432	MVL	0.9186
433	6M4	0.9185
434	N8Y	0.9182
435	VNJ	0.9182
436	ADE	0.9181
437	MR1	0.9181
438	X09	0.9178
439	RNS	0.9177
440	QXW	0.9174
441	ZB1	0.9173
442	EXO	0.9170
443	4XR	0.9168
444	KYD	0.9167
445	HPA	0.9165
446	EMZ	0.9165
447	0RW	0.9164
448	GOX	0.9164
449	NSP	0.9164
450	HLR	0.9164
451	SJ5	0.9163
452	ZWZ	0.9162
453	2GS	0.9160
454	MVN	0.9160
455	PHH	0.9159
456	BSX	0.9159
457	LT2	0.9158
458	HNQ	0.9156
459	NDH	0.9155
460	9R5	0.9154
461	YIO	0.9153
462	92K	0.9152
463	1P7	0.9151
464	3FH	0.9148
465	FDR	0.9147
466	F5B	0.9146
467	9DA	0.9146
468	IJZ	0.9143
469	BCU	0.9143
470	G4D	0.9143
471	N2I	0.9138
472	7D2	0.9138
473	FOT	0.9136
474	BBF	0.9135
475	6CS	0.9135
476	2HQ	0.9135
477	KJU	0.9134
478	FCA	0.9134
479	3MA	0.9133
480	E5X	0.9133
481	VNL	0.9132
482	K8X	0.9132
483	2MN	0.9132
484	4BZ	0.9131
485	6NT	0.9130
486	7WA	0.9129
487	H62	0.9128
488	F9Y	0.9127
489	DHB	0.9124
490	0TU	0.9124
491	7ME	0.9122
492	ASC	0.9122
493	JA8	0.9121
494	0FN	0.9121
495	SWD	0.9120
496	GCW	0.9119
497	8NY	0.9119
498	UFO	0.9119
499	IBF	0.9118
500	PYG	0.9116
501	BP1	0.9115
502	BK9	0.9115
503	TOF	0.9114
504	YSO	0.9114
505	P9P	0.9113
506	GM7	0.9110
507	GTQ	0.9110
508	4XV	0.9110
509	PH2	0.9107
510	3NY	0.9107
511	NNO	0.9106
512	PYD	0.9106
513	5RG	0.9105
514	VOH	0.9104
515	PCI	0.9104
516	ADA	0.9103
517	9HX	0.9102
518	J9Q	0.9101
519	RHU	0.9100
520	DHK	0.9100
521	XIY	0.9098
522	GZL	0.9097
523	MYJ	0.9096
524	FP1	0.9095
525	7HP	0.9095
526	261	0.9095
527	2ZM	0.9095
528	URF	0.9094
529	329	0.9094
530	AMH	0.9093
531	8XQ	0.9091
532	GTR	0.9091
533	INO	0.9091
534	FHB	0.9089
535	5B1	0.9089
536	6MP	0.9088
537	Z5P	0.9088
538	KDV	0.9088
539	GCV	0.9087
540	WBU	0.9086
541	5NI	0.9086
542	KOJ	0.9085
543	3RI	0.9084
544	1MC	0.9083
545	2HO	0.9082
546	2AK	0.9081
547	UNC	0.9081
548	5GU	0.9079
549	4A3	0.9078
550	4YO	0.9077
551	9FL	0.9077
552	8WT	0.9075
553	DFU	0.9074
554	F0J	0.9073
555	ES4	0.9073
556	XQG	0.9073
557	M2K	0.9072
558	3GQ	0.9071
559	SXS	0.9071
560	XXR	0.9070
561	1M2	0.9069
562	MCT	0.9069
563	4MU	0.9068
564	V55	0.9068
565	GJS	0.9067
566	D07	0.9067
567	93K	0.9066
568	PNZ	0.9065
569	PQK	0.9064
570	QAT	0.9062
571	TH0	0.9061
572	BPN	0.9060
573	ARB	0.9059
574	0HO	0.9059
575	4M4	0.9058
576	GYE	0.9058
577	EUG	0.9058
578	RIB	0.9058
579	ANN	0.9058
580	I1N	0.9057
581	97T	0.9057
582	QAS	0.9056
583	3HM	0.9055
584	226	0.9054
585	4HO	0.9053
586	4XS	0.9053
587	GDE	0.9053
588	4RU	0.9052
589	8W9	0.9052
590	TDR	0.9051
591	0MK	0.9051
592	5M0	0.9051
593	1U6	0.9050
594	HBA	0.9050
595	PX7	0.9048
596	8WO	0.9047
597	FLV	0.9046
598	XBZ	0.9046
599	3XX	0.9046
600	CHB	0.9046
601	275	0.9045
602	RIP	0.9043
603	K5W	0.9041
604	15E	0.9040
605	0JD	0.9039
606	5MH	0.9038
607	2HU	0.9037
608	F3B	0.9036
609	TBP	0.9036
610	KGK	0.9036
611	0HN	0.9036
612	FBV	0.9034
613	3SK	0.9033
614	0W8	0.9032
615	DEN	0.9031
616	43M	0.9031
617	2AC	0.9030
618	ABI	0.9029
619	C2U	0.9028
620	NK	0.9027
621	HKD	0.9027
622	L7T	0.9026
623	XYD	0.9026
624	4HM	0.9025
625	GTZ	0.9023
626	JLZ	0.9023
627	34A	0.9022
628	ICP	0.9021
629	HHR	0.9021
630	1F1	0.9021
631	4TU	0.9020
632	64K	0.9020
633	2MP	0.9019
634	A1U	0.9019
635	1WG	0.9019
636	BSP	0.9018
637	GJP	0.9018
638	GZ8	0.9017
639	DNF	0.9017
640	4ZE	0.9017
641	K6X	0.9016
642	IF7	0.9016
643	ZZZ	0.9015
644	MWM	0.9014
645	PEY	0.9014
646	PM6	0.9013
647	5NE	0.9013
648	TGX	0.9012
649	JZ3	0.9012
650	DEE	0.9011
651	QSB	0.9011
652	15N	0.9010
653	9TW	0.9009
654	MZB	0.9008
655	173	0.9007
656	MSN	0.9006
657	4P5	0.9006
658	FB1	0.9006
659	QOS	0.9004
660	F12	0.9004
661	4JJ	0.9002
662	HX3	0.9001
663	4CL	0.9000
664	BZI	0.9000
665	2BG	0.8997
666	5UC	0.8996
667	JZ2	0.8996
668	3A9	0.8995
669	4CS	0.8995
670	ZXD	0.8994
671	IND	0.8993
672	E7S	0.8991
673	BEZ	0.8990
674	XXP	0.8987
675	1HN	0.8986
676	5MK	0.8986
677	JZ9	0.8986
678	RAM	0.8986
679	CWJ	0.8985
680	DIU	0.8985
681	ZZ8	0.8983
682	GSY	0.8983
683	RB5	0.8983
684	54G	0.8983
685	BZF	0.8983
686	GTL	0.8982
687	GMN	0.8982
688	2YU	0.8981
689	0R0	0.8981
690	A65	0.8980
691	9TZ	0.8980
692	OTR	0.8979
693	ZYR	0.8979
694	6NI	0.8977
695	KYA	0.8976
696	NGO	0.8975
697	MBD	0.8975
698	IDM	0.8974
699	717	0.8974
700	HXX	0.8973
701	1KP	0.8973
702	MZG	0.8973
703	JXN	0.8972
704	4JO	0.8971
705	4JP	0.8971
706	LRH	0.8970
707	BHO	0.8970
708	260	0.8966
709	NCA	0.8966
710	8GC	0.8965
711	8HC	0.8964
712	LZ1	0.8962
713	BEN	0.8962
714	AMG	0.8961
715	MMA	0.8960
716	GT0	0.8960
717	4NM	0.8959
718	3MC	0.8958
719	Q7A	0.8958
720	BAM	0.8958
721	D3M	0.8955
722	IHB	0.8955
723	FPY	0.8954
724	FCR	0.8953
725	2LP	0.8952
726	TSS	0.8951
727	SX1	0.8949
728	GVH	0.8949
729	NBZ	0.8949
730	27B	0.8949
731	BR9	0.8948
732	HIS	0.8947
733	KP6	0.8945
734	SKM	0.8945
735	5JC	0.8945
736	BNT	0.8944
737	ABE	0.8944
738	9CA	0.8944
739	TM7	0.8943
740	2MY	0.8943
741	0R1	0.8943
742	3FA	0.8943
743	TIU	0.8942
744	12T	0.8941
745	6PC	0.8941
746	4KL	0.8940
747	SVD	0.8938
748	MWJ	0.8938
749	2LY	0.8937
750	2C9	0.8937
751	95Z	0.8937
752	NGT	0.8936
753	259	0.8936
754	92P	0.8935
755	GOO	0.8935
756	60P	0.8934
757	27Y	0.8933
758	HT4	0.8932
759	293	0.8931
760	MPI	0.8931
761	3AB	0.8931
762	TM4	0.8929
763	FGZ	0.8929
764	6LW	0.8927
765	FFP	0.8925
766	94W	0.8924
767	0CT	0.8924
768	3Z7	0.8922
769	3CE	0.8921
770	52C	0.8920
771	II6	0.8919
772	3HB	0.8919
773	2CM	0.8917
774	YCP	0.8917
775	FLM	0.8916
776	SN4	0.8916
777	NIO	0.8916
778	286	0.8915
779	O2A	0.8913
780	RSF	0.8912
781	0TR	0.8910
782	N3W	0.8909
783	HDH	0.8908
784	HA7	0.8908
785	ARA	0.8906
786	LSA	0.8905
787	YQA	0.8905
788	TFU	0.8905
789	GYP	0.8905
790	WCE	0.8905
791	9PY	0.8904
792	6KX	0.8903
793	18N	0.8900
794	UQ	0.8900
795	3MH	0.8898
796	AGK	0.8898
797	JG8	0.8898
798	JAW	0.8897
799	4VP	0.8896
800	TSU	0.8896
801	EKZ	0.8895
802	0FK	0.8895
803	1IT	0.8894
804	6MH	0.8894
805	GAB	0.8894
806	KIF	0.8892
807	JND	0.8891
808	UNU	0.8890
809	K37	0.8887
810	5HN	0.8887
811	7CZ	0.8886
812	C2Y	0.8885
813	SAN	0.8885
814	7WR	0.8883
815	NAG	0.8883
816	QSC	0.8882
817	IDH	0.8882
818	ARP	0.8882
819	3NT	0.8881
820	FHN	0.8881
821	IUR	0.8880
822	3OC	0.8880
823	2A7	0.8879
824	GIF	0.8879
825	0LH	0.8877
826	PZA	0.8877
827	MFU	0.8876
828	NIZ	0.8876
829	TLD	0.8874
830	GBD	0.8874
831	TLA	0.8873
832	39O	0.8871
833	R8A	0.8871
834	F31	0.8871
835	R9S	0.8871
836	SRO	0.8870
837	NTN	0.8870
838	S76	0.8868
839	AA	0.8867
840	DUB	0.8864
841	OXQ	0.8862
842	GNM	0.8862
843	150	0.8861
844	H6B	0.8861
845	MWP	0.8860
846	AAS	0.8859
847	FBM	0.8859
848	PZM	0.8858
849	0F9	0.8857
850	E1T	0.8855
851	KJ5	0.8854
852	7MU	0.8854
853	BZ2	0.8852
854	OVV	0.8851
855	TAR	0.8851
856	M4E	0.8849
857	H5B	0.8848
858	PBC	0.8847
859	2CQ	0.8846
860	069	0.8845
861	W81	0.8843
862	9ZE	0.8842
863	X0V	0.8842
864	4SX	0.8842
865	OAA	0.8840
866	DNA	0.8839
867	2CL	0.8839
868	5NS	0.8839
869	53C	0.8838
870	LNR	0.8837
871	2AL	0.8837
872	AIN	0.8836
873	PAF	0.8835
874	PFL	0.8835
875	4JM	0.8834
876	SS1	0.8834
877	4WL	0.8831
878	LDP	0.8829
879	ANF	0.8827
880	X8D	0.8826
881	J6W	0.8826
882	JDN	0.8825
883	FSW	0.8825
884	DQA	0.8825
885	IFP	0.8824
886	R8S	0.8821
887	ARW	0.8821
888	Y8I	0.8821
889	KFH	0.8821
890	VGL	0.8820
891	SLS	0.8818
892	QSH	0.8818
893	H8N	0.8817
894	PDC	0.8816
895	Q71	0.8816
896	DNC	0.8815
897	JXW	0.8814
898	ISZ	0.8813
899	3R6	0.8811
900	AC0	0.8811
901	4J8	0.8811
902	5CL	0.8810
903	F4Z	0.8807
904	FRU	0.8806
905	GAG	0.8805
906	JXZ	0.8805
907	3BZ	0.8804
908	45C	0.8802
909	6BL	0.8801
910	FBG	0.8800
911	9LI	0.8800
912	L99	0.8798
913	4PW	0.8798
914	EV0	0.8795
915	7N0	0.8795
916	FUD	0.8795
917	KLW	0.8794
918	FA3	0.8793
919	ESP	0.8793
920	JZ1	0.8792
921	FBS	0.8792
922	94N	0.8791
923	HA5	0.8790
924	AJY	0.8788
925	28N	0.8787
926	4JU	0.8786
927	3MB	0.8785
928	I6G	0.8785
929	NDG	0.8784
930	BRT	0.8784
931	NTM	0.8782
932	OXC	0.8782
933	4ZA	0.8781
934	3BU	0.8781
935	DHR	0.8781
936	4FH	0.8780
937	OVM	0.8779
938	4AN	0.8779
939	JZ4	0.8779
940	ESI	0.8779
941	4ZC	0.8778
942	PBA	0.8778
943	EYK	0.8777
944	THA	0.8773
945	TC7	0.8772
946	6FZ	0.8771
947	GCO	0.8770
948	A29	0.8769
949	1X7	0.8769
950	M58	0.8768
951	4FA	0.8768
952	AMS	0.8766
953	OMD	0.8766
954	IP0	0.8765
955	LDR	0.8764
956	DBX	0.8764
957	AEF	0.8764
958	F9P	0.8761
959	2CZ	0.8759
960	CFI	0.8759
961	GDL	0.8758
962	JKZ	0.8758
963	PZI	0.8755
964	TAG	0.8754
965	B5D	0.8751
966	FBA	0.8751
967	TWO	0.8750
968	ICB	0.8750
969	JB8	0.8748
970	E3D	0.8745
971	PHT	0.8744
972	NVU	0.8744
973	2MH	0.8742
974	H76	0.8740
975	PLQ	0.8740
976	IBM	0.8740
977	Q77	0.8739
978	CGB	0.8738
979	MHK	0.8736
980	8GK	0.8727
981	23J	0.8727
982	LQ2	0.8727
983	HQE	0.8723
984	LT8	0.8721
985	LG4	0.8721
986	9FE	0.8720
987	PJW	0.8719
988	IT2	0.8719
989	IPZ	0.8714
990	G12	0.8710
991	ESX	0.8709
992	6KT	0.8708
993	FQI	0.8707
994	NGA	0.8706
995	APS	0.8706
996	SF9	0.8706
997	20J	0.8705
998	HY3	0.8705
999	4NB	0.8704
1000	AN3	0.8702
1001	SNO	0.8701
1002	GV9	0.8699
1003	FAN	0.8698
1004	ONR	0.8697
1005	KBB	0.8697
1006	IAC	0.8694
1007	LZ2	0.8694
1008	NK2	0.8692
1009	QIC	0.8692
1010	PCR	0.8692
1011	PXY	0.8692
1012	4JL	0.8691
1013	SR1	0.8691
1014	PHU	0.8689
1015	OW4	0.8685
1016	ZZ3	0.8684
1017	M3S	0.8684
1018	NEQ	0.8684
1019	9AP	0.8682
1020	KTW	0.8682
1021	RSO	0.8682
1022	1P3	0.8681
1023	505	0.8680
1024	39U	0.8677
1025	25R	0.8676
1026	CH9	0.8675
1027	12M	0.8669
1028	ORO	0.8669
1029	VXX	0.8668
1030	V1T	0.8666
1031	BPU	0.8665
1032	TIY	0.8664
1033	8OZ	0.8663
1034	UFV	0.8662
1035	5VL	0.8660
1036	MSR	0.8660
1037	AMC	0.8657
1038	4XX	0.8657
1039	8MO	0.8657
1040	DOR	0.8656
1041	C2B	0.8655
1042	MT8	0.8655
1043	YRL	0.8655
1044	FPN	0.8653
1045	TMZ	0.8653
1046	1XX	0.8651
1047	L46	0.8650
1048	HQJ	0.8647
1049	2F6	0.8644
1050	PBR	0.8643
1051	I3E	0.8643
1052	8NX	0.8643
1053	SFU	0.8641
1054	YTB	0.8641
1055	NMJ	0.8640
1056	B56	0.8638
1057	1XA	0.8638
1058	57O	0.8637
1059	51R	0.8636
1060	FA1	0.8634
1061	GF4	0.8632
1062	RNO	0.8631
1063	RMN	0.8631
1064	SEJ	0.8627
1065	3QV	0.8627
1066	HHS	0.8626
1067	DA1	0.8623
1068	4JC	0.8622
1069	DRG	0.8619
1070	LMR	0.8619
1071	30G	0.8619
1072	4HS	0.8618
1073	2JK	0.8616
1074	E1K	0.8616
1075	HC4	0.8615
1076	4CH	0.8611
1077	D1X	0.8610
1078	TYL	0.8609
1079	EN1	0.8608
1080	7MX	0.8606
1081	14J	0.8606
1082	PD2	0.8605
1083	CIT	0.8605
1084	A2G	0.8603
1085	X0U	0.8602
1086	AY4	0.8602
1087	9TY	0.8597
1088	TT4	0.8591
1089	BML	0.8591
1090	ROI	0.8587
1091	OHP	0.8586
1092	4JN	0.8584
1093	TPA	0.8584
1094	F4E	0.8580
1095	M4S	0.8580
1096	NLA	0.8579
1097	0W1	0.8578
1098	2HC	0.8576
1099	TMT	0.8574
1100	537	0.8572
1101	4BY	0.8572
1102	TZF	0.8569
1103	5TY	0.8568
1104	68A	0.8565
1105	UNJ	0.8565
1106	3C1	0.8564
1107	BZJ	0.8563
1108	AX3	0.8560
1109	PHE	0.8555
1110	DX3	0.8555
1111	DZX	0.8554
1112	M5N	0.8553
1113	BPY	0.8552
1114	36E	0.8550
1115	MAJ	0.8548
1116	A13	0.8547
1117	0XT	0.8540
1118	091	0.8537
1119	L5V	0.8534
1120	PAC	0.8532
1121	EXD	0.8530
1122	K34	0.8530
1123	WOT	0.8520
1124	SNU	0.8519

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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