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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
5KF6	1.7 Å	NON-ENZYME: OTHER	STRUCTURE OF PROLINE UTILIZATION A FROM SINORHIZOBIUM MELILO COMPLEXED WITH L-TETRAHYDROFUROIC ACID AND NAD+ IN SPACE GR	SINORHIZOBIUM MELILOTI (STRAIN SM11)	FLAVOENZYME ROSSMANN FOLD ALDEHYDE DEHYDROGENASE PROLINE CATABOLISM SUBSTRATE CHANNELING BIFUNCTIONAL ENZYME OXIDOREDUCTASE
Ref.:	STRUCTURES OF PROLINE UTILIZATION A (PUTA) REVEAL T AND FUNCTIONS OF THE ALDEHYDE DEHYDROGENASE SUPERFA DOMAIN OF UNKNOWN FUNCTION. J.BIOL.CHEM. V. 291 24065 2016

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
NAD	B:2002; A:2002;	Valid; Valid;	none; none;	submit data	663.425	C21 H27 N7 O14 P2	c1cc(...
TFB	B:2003; A:2003;	Valid; Valid;	none; none;	submit data	116.115	C5 H8 O3	C1C[C...
FAD	A:2001; B:2001;	Valid; Valid;	none; none;	submit data	785.55	C27 H33 N9 O15 P2	Cc1cc...
MG	A:2004; B:2004;	Invalid; Invalid;	none; none;	submit data	24.305	Mg	[Mg+2...
PGE	A:2007; B:2006; B:2008; A:2006; A:2005; B:2007; B:2009; B:2005;	Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid;	none; none; none; none; none; none; none; none;	submit data	150.173	C6 H14 O4	C(COC...
PG4	B:2010;	Invalid;	none;	submit data	194.226	C8 H18 O5	C(COC...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
5KF6	1.7 Å	NON-ENZYME: OTHER	STRUCTURE OF PROLINE UTILIZATION A FROM SINORHIZOBIUM MELILO COMPLEXED WITH L-TETRAHYDROFUROIC ACID AND NAD+ IN SPACE GR	SINORHIZOBIUM MELILOTI (STRAIN SM11)	FLAVOENZYME ROSSMANN FOLD ALDEHYDE DEHYDROGENASE PROLINE CATABOLISM SUBSTRATE CHANNELING BIFUNCTIONAL ENZYME OXIDOREDUCTASE
Ref.:	STRUCTURES OF PROLINE UTILIZATION A (PUTA) REVEAL T AND FUNCTIONS OF THE ALDEHYDE DEHYDROGENASE SUPERFA DOMAIN OF UNKNOWN FUNCTION. J.BIOL.CHEM. V. 291 24065 2016

Members (2)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1443 families.
1	5KF6	-	TFB	C5 H8 O3	C1C[C@H](O....
2	5KF7	-	FAD	C27 H33 N9 O15 P2	Cc1cc2c(cc....

70% Homology Family (2)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1205 families.
1	5KF6	-	TFB	C5 H8 O3	C1C[C@H](O....
2	5KF7	-	FAD	C27 H33 N9 O15 P2	Cc1cc2c(cc....

50% Homology Family (7)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	6BSN	-	FDA	C27 H35 N9 O15 P2	Cc1cc2c(cc....
2	3HAZ	-	NAD	C21 H27 N7 O14 P2	c1cc(c[n+]....
3	4Q73	-	FAD	C27 H33 N9 O15 P2	Cc1cc2c(cc....
4	4Q71	-	FAD	C27 H33 N9 O15 P2	Cc1cc2c(cc....
5	4Q72	-	FAD	C27 H33 N9 O15 P2	Cc1cc2c(cc....
6	5KF6	-	TFB	C5 H8 O3	C1C[C@H](O....
7	5KF7	-	FAD	C27 H33 N9 O15 P2	Cc1cc2c(cc....

Polypharmacology

Similar Ligands

Ligand no: 1; Ligand: NAD; Similar ligands found: 230

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	A3D	0.872727	0.986111
2	NHD	0.821429	0.972222
3	NAP	0.811966	0.986111
4	NFD	0.791304	0.946667
5	NXX	0.765766	0.972603
6	DND	0.765766	0.972603
7	AMP NAD	0.74359	0.972222
8	ZID	0.737705	0.986111
9	NAQ	0.729508	0.934211
10	NAE	0.721311	0.959459
11	NA0	0.712	0.972603
12	TAP	0.704	0.921053
13	NDE	0.689922	0.972603
14	NAJ	0.683333	0.972222
15	NDC	0.679389	0.934211
16	NDO	0.674603	0.958904
17	N01	0.656	0.972222
18	CNA	0.642276	0.972603
19	NBP	0.621212	0.922078
20	8ID	0.609756	0.922078
21	A2D	0.576923	0.958333
22	ADP	0.575472	0.931507
23	NGD	0.574803	0.922078
24	BA3	0.566038	0.958333
25	M33	0.564815	0.918919
26	ADP PO3	0.563636	0.957747
27	B4P	0.560748	0.958333
28	AP5	0.560748	0.958333
29	AN2	0.555556	0.918919
30	AT4	0.555556	0.894737
31	GAP	0.553571	0.932432
32	OOB	0.551724	0.972222
33	CA0	0.550459	0.932432
34	9JJ	0.546053	0.898734
35	HEJ	0.545455	0.931507
36	ACP	0.545455	0.906667
37	ATP	0.545455	0.931507
38	DQV	0.544	0.972222
39	ADP ALF	0.54386	0.883117
40	ALF ADP	0.54386	0.883117
41	DAL AMP	0.543103	0.945205
42	APR	0.540541	0.931507
43	AQP	0.540541	0.931507
44	AR6	0.540541	0.931507
45	5FA	0.540541	0.931507
46	ADP VO4	0.53913	0.945205
47	VO4 ADP	0.53913	0.945205
48	AD9	0.535714	0.906667
49	SAP	0.535714	0.883117
50	AGS	0.535714	0.883117
51	WAQ	0.533333	0.896104
52	ABM	0.53271	0.905405
53	DLL	0.529412	0.972222
54	00A	0.529412	0.921053
55	ACQ	0.526316	0.906667
56	NJP	0.526316	0.959459
57	ANP	0.526316	0.906667
58	OAD	0.525	0.932432
59	ADX	0.522523	0.839506
60	5AL	0.521739	0.945205
61	A1R	0.521008	0.871795
62	9SN	0.520325	0.909091
63	A	0.518868	0.930556
64	AMP	0.518868	0.930556
65	50T	0.517857	0.893333
66	ATF	0.517241	0.894737
67	1ZZ	0.516393	0.851852
68	3OD	0.516393	0.932432
69	SON	0.513514	0.92
70	PRX	0.513274	0.881579
71	6YZ	0.512821	0.906667
72	SRP	0.512821	0.92
73	9X8	0.512397	0.883117
74	ADP BMA	0.512397	0.932432
75	3UK	0.512397	0.958904
76	MYR AMP	0.512195	0.851852
77	NAJ PZO	0.510949	0.909091
78	NMN	0.509434	0.875
79	A3R	0.508333	0.871795
80	B5V	0.508197	0.945946
81	AMP DBH	0.507937	0.906667
82	A22	0.504202	0.945205
83	ATP A A A	0.504	0.971831
84	B5M	0.504	0.933333
85	FA5	0.504	0.945946
86	8QN	0.5	0.945205
87	NAX	0.496183	0.886076
88	TYR AMP	0.496063	0.933333
89	PR8	0.495935	0.8625
90	AMO	0.495868	0.92
91	ADQ	0.495868	0.932432
92	4AD	0.495868	0.933333
93	PAJ	0.495868	0.873418
94	A12	0.495495	0.894737
95	AP2	0.495495	0.894737
96	AHZ	0.492308	0.851852
97	YAP	0.492063	0.933333
98	FYA	0.491935	0.918919
99	AHX	0.491803	0.884615
100	4UU	0.488372	0.933333
101	5SV	0.487603	0.8375
102	TAT	0.487179	0.894737
103	T99	0.487179	0.894737
104	APC	0.486957	0.894737
105	SRA	0.486239	0.881579
106	6V0	0.484848	0.909091
107	NAI	0.484848	0.921053
108	GTA	0.484615	0.898734
109	A A	0.483871	0.958333
110	LAD	0.483871	0.873418
111	AU1	0.482456	0.906667
112	F2R	0.481752	0.831325
113	OMR	0.481203	0.841463
114	TXE	0.481203	0.921053
115	AF3 ADP 3PG	0.481203	0.873418
116	LAQ	0.480916	0.851852
117	G3A	0.48062	0.909091
118	B5Y	0.480315	0.933333
119	NB8	0.48	0.884615
120	TXA	0.48	0.92
121	BIS	0.48	0.871795
122	ME8	0.48	0.851852
123	PTJ	0.48	0.884615
124	139	0.477941	0.886076
125	LPA AMP	0.477273	0.851852
126	AFH	0.476923	0.873418
127	AR6 AR6	0.476923	0.958333
128	G5P	0.476923	0.909091
129	ARG AMP	0.476923	0.841463
130	25L	0.47619	0.945205
131	NAJ PYZ	0.475524	0.864198
132	25A	0.47541	0.958333
133	9ZA	0.47541	0.896104
134	9ZD	0.47541	0.896104
135	DZD	0.47482	0.897436
136	TXD	0.473684	0.921053
137	4UV	0.472868	0.933333
138	TYM	0.470149	0.945946
139	RBY	0.470085	0.894737
140	ADV	0.470085	0.894737
141	4TA	0.467626	0.864198
142	48N	0.466165	0.884615
143	XAH	0.465116	0.851852
144	4UW	0.462687	0.897436
145	M24	0.461538	0.886076
146	80F	0.460993	0.853659
147	IOT	0.459854	0.821429
148	T5A	0.456522	0.853659
149	EAD	0.455782	0.886076
150	MAP	0.455285	0.883117
151	GA7	0.454545	0.894737
152	BT5	0.453901	0.821429
153	A4P	0.452555	0.833333
154	UP5	0.451852	0.933333
155	PAP	0.445378	0.917808
156	4TC	0.445255	0.909091
157	AP0	0.445255	0.884615
158	YLP	0.444444	0.831325
159	P1H	0.443709	0.864198
160	AOC	0.442478	0.810811
161	Z5A	0.439189	0.833333
162	LMS	0.4375	0.817073
163	2A5	0.436975	0.857143
164	A G	0.43662	0.921053
165	G A A A	0.43662	0.909091
166	COD	0.43662	0.802326
167	ADJ	0.435714	0.841463
168	YLB	0.434783	0.831325
169	YLC	0.434783	0.851852
170	U A G G	0.433566	0.921053
171	ATR	0.433333	0.90411
172	7MD	0.432836	0.851852
173	8X1	0.432	0.764045
174	G5A	0.429752	0.790698
175	PO4 PO4 A A A A PO4	0.429688	0.943662
176	TAD	0.42963	0.873418
177	5AS	0.42735	0.770115
178	BTX	0.426573	0.831325
179	YLA	0.425532	0.831325
180	DSZ	0.425197	0.790698
181	NCN	0.424779	0.805556
182	UPA	0.42446	0.921053
183	8PZ	0.424242	0.811765
184	VMS	0.424	0.8
185	54H	0.424	0.8
186	9K8	0.423077	0.744444
187	N0B	0.422819	0.853659
188	6AD	0.422764	0.85
189	AYB	0.422535	0.821429
190	7D3	0.422414	0.844156
191	YLY	0.421769	0.821429
192	TSB	0.420635	0.809524
193	ODP	0.41958	0.922078
194	AV2	0.419355	0.855263
195	FB0	0.419355	0.775281
196	A5A	0.419355	0.819277
197	NNR	0.419048	0.739726
198	A A A	0.418605	0.918919
199	U A	0.417808	0.946667
200	649	0.417266	0.775281
201	NMN AMP PO4	0.416667	0.933333
202	SSA	0.416	0.790698
203	P5A	0.415385	0.755556
204	LSS	0.414062	0.772727
205	A2R	0.412698	0.918919
206	52H	0.412698	0.790698
207	JB6	0.412214	0.896104
208	5N5	0.411215	0.783784
209	YSA	0.410448	0.811765
210	53H	0.409449	0.790698
211	5CA	0.409449	0.790698
212	ITT	0.408333	0.878378
213	7D4	0.408333	0.844156
214	NA7	0.407692	0.894737
215	LEU LMS	0.407692	0.784091
216	5CD	0.407407	0.794521
217	0WD	0.406897	0.909091
218	A3P	0.40678	0.930556
219	HFD	0.406504	0.883117
220	AVV	0.40625	0.860759
221	RAB	0.40566	0.808219
222	XYA	0.40566	0.808219
223	ADN	0.40566	0.808219
224	FDA	0.405063	0.823529
225	GSU	0.40458	0.790698
226	7MC	0.404255	0.831325
227	NSS	0.403101	0.811765
228	6FA	0.402516	0.853659
229	PPS	0.4	0.817073
230	NVA LMS	0.4	0.784091

Ligand no: 2; Ligand: TFB; Similar ligands found: 1

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	TFB	1	1

Ligand no: 3; Ligand: FAD; Similar ligands found: 128

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	FAD	1	1
2	FAS	1	1
3	FAY	0.859259	0.9875
4	RFL	0.852941	0.963855
5	6FA	0.794118	0.987654
6	FAE	0.751773	0.987654
7	SFD	0.651007	0.860215
8	FDA	0.641892	0.906977
9	FNK	0.602564	0.876405
10	62F	0.572327	0.939024
11	F2N	0.566265	0.886364
12	FMN	0.543307	0.876543
13	FA9	0.526316	0.939759
14	6YU	0.516304	0.860215
15	P6G FDA	0.511628	0.908046
16	FAD NBT	0.508876	0.83871
17	A2D	0.504065	0.875
18	P5F	0.491329	0.941176
19	FAD CNX	0.488506	0.8125
20	AR6	0.488372	0.851852
21	APR	0.488372	0.851852
22	AGS	0.484615	0.811765
23	SAP	0.484615	0.811765
24	M33	0.484375	0.864198
25	BA3	0.484127	0.875
26	HEJ	0.48062	0.851852
27	ATP	0.48062	0.851852
28	ADP	0.480315	0.851852
29	B4P	0.480315	0.875
30	AP5	0.480315	0.875
31	ANP	0.477273	0.831325
32	AQP	0.476923	0.851852
33	5FA	0.476923	0.851852
34	48N	0.469388	0.902439
35	OAD	0.467626	0.876543
36	9X8	0.467626	0.833333
37	FAD NBA	0.467033	0.793814
38	GTA	0.465753	0.892857
39	AN2	0.465116	0.841463
40	AT4	0.465116	0.821429
41	AD9	0.462121	0.831325
42	3OD	0.460993	0.876543
43	RBF	0.460938	0.790123
44	FB0	0.460606	0.835165
45	139	0.460526	0.858824
46	AP0	0.46	0.835294
47	A22	0.459854	0.864198
48	ACP	0.458015	0.853659
49	8QN	0.456522	0.864198
50	PRX	0.454545	0.831325
51	A3R	0.453237	0.86747
52	A1R	0.453237	0.86747
53	G3A	0.452055	0.902439
54	T5A	0.45098	0.872093
55	G5P	0.44898	0.902439
56	ATF	0.448529	0.821429
57	50T	0.44697	0.819277
58	6YZ	0.445255	0.853659
59	ACQ	0.444444	0.853659
60	CNV FAD	0.443182	0.917647
61	ADQ	0.442857	0.853659
62	PAJ	0.442857	0.847059
63	5AL	0.441176	0.864198
64	ADX	0.439394	0.775281
65	CA0	0.439394	0.853659
66	A4P	0.437909	0.831461
67	25L	0.4375	0.864198
68	P33 FDA	0.436464	0.817204
69	5SV	0.435714	0.793103
70	OMR	0.434211	0.818182
71	TXE	0.434211	0.890244
72	ABM	0.434109	0.829268
73	A	0.433071	0.82716
74	AMP	0.433071	0.82716
75	4AD	0.432624	0.855422
76	ADJ	0.432258	0.818182
77	B5M	0.431507	0.878049
78	B5Y	0.431507	0.878049
79	BIS	0.430556	0.802326
80	SRA	0.429688	0.788235
81	AFH	0.42953	0.825581
82	NXX	0.427632	0.865854
83	DND	0.427632	0.865854
84	UP5	0.427632	0.878049
85	6V0	0.427632	0.857143
86	TXD	0.427632	0.890244
87	DQV	0.426667	0.8875
88	SRP	0.42446	0.843373
89	PR8	0.423611	0.837209
90	T99	0.423358	0.821429
91	TAT	0.423358	0.821429
92	AMO	0.422535	0.865854
93	TXA	0.42069	0.865854
94	FYA	0.42069	0.864198
95	PTJ	0.42069	0.835294
96	CNA	0.420382	0.865854
97	00A	0.41958	0.823529
98	AHX	0.41958	0.835294
99	MAP	0.41844	0.811765
100	NAI	0.418301	0.845238
101	AU1	0.41791	0.831325
102	A12	0.416667	0.843373
103	AP2	0.416667	0.843373
104	25A	0.415493	0.851852
105	9ZA	0.415493	0.845238
106	9ZD	0.415493	0.845238
107	COD	0.415094	0.842697
108	4TC	0.412903	0.879518
109	APC	0.411765	0.843373
110	ME8	0.410959	0.806818
111	1ZZ	0.410959	0.806818
112	NB8	0.410959	0.835294
113	4UW	0.409091	0.825581
114	NAX	0.409091	0.837209
115	F2R	0.408805	0.850575
116	RBY	0.408759	0.843373
117	ADV	0.408759	0.843373
118	P1H	0.405882	0.818182
119	OOB	0.405594	0.864198
120	LAD	0.40411	0.825581
121	A A	0.40411	0.829268
122	UPA	0.403846	0.86747
123	4UU	0.401316	0.833333
124	GA7	0.401316	0.865854
125	A3D	0.401235	0.876543
126	80F	0.401235	0.808989
127	XAH	0.4	0.806818
128	DLL	0.4	0.864198

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

Pocket No.: 1; Query (leader) PDB : 5KF6; Ligand: NAD; Similar sites found with APoc: 142

This union binding pocket(no: 1) in the query (biounit: 5kf6.bio1) has 33 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	6B79	ORA	None
2	4R84	CSF	1.39165
3	1ZGS	XMM	1.78971
4	5L2R	MLA	1.82119
5	1OFL	NGK GCD	1.86235
6	1HYH	NAD	1.94175
7	1PDZ	PGA	2.07373
8	4R8L	ASP	2.07792
9	5AYE	BMA BMA	2.08955
10	3QPB	R1P	2.12766
11	3QPB	URA	2.12766
12	5G48	1FL	2.13904
13	1KYZ	SAH	2.19178
14	3LKF	PC	2.34114
15	3TY3	GGG	2.45902
16	1VMK	GUN	2.52708
17	1KYQ	NAD	2.55474
18	1RZU	ADP	2.68041
19	1EWK	GLU	2.85714
20	5JFL	NAD	2.8626
21	5IFK	HPA	2.88462
22	6FA4	D1W	2.89017
23	1Z34	2FD	2.97872
24	4TR9	38D	2.98103
25	1KAE	NAD	2.99539
26	3QSB	743	3.00546
27	1TVP	CBI	3.07167
28	1LSH	PLD	3.1348
29	1F9V	ADP	3.17003
30	1HPG	BOC ALA ALA PRO GLU	3.20856
31	2ZWI	C5P	3.21716
32	1IK4	PGH	3.28947
33	2IU8	PLM	3.47594
34	1BGV	GLU	3.56347
35	2IZ1	ATR	3.5865
36	2VC9	NOK	3.59147
37	2X1E	X1E	3.64146
38	5JE8	NAD	3.64238
39	2NU8	COA	3.81944
40	2Z4T	C5P	3.89105
41	1T36	U	3.9267
42	4ZTD	ALA GLY ALA GLY ALA	3.95257
43	1WDK	NAD	4.10256
44	5T8U	LPA	4.16667
45	2JE7	XMM	4.1841
46	1ODJ	GMP	4.25532
47	5O5Y	GLC	4.31034
48	5KJW	53C	4.44965
49	5E5U	MLI	4.54545
50	5LY1	PPI	4.72441
51	1YFS	ALA	4.73118
52	5OCG	9R5	4.7619
53	4YUW	4JU	4.93421
54	3PNQ	2HA	5.04202
55	2WLG	SOP	5.11628
56	1C5C	TK4	5.14019
57	5DBV	COA	5.16854
58	2CVZ	NDP	5.19031
59	1ZQ9	SAM	5.26316
60	2HIM	ASP	5.58659
61	1RJW	ETF	5.60472
62	3ZW2	NAG GAL FUC	5.74713
63	4CNK	MEU	5.88235
64	6DW2	HD4	5.90717
65	5Y4R	C2E	6.2069
66	3EFS	BTN	6.43777
67	5UAV	NDP	6.52174
68	5UAV	TFB	6.52174
69	1OS7	TAU	6.71378
70	3RZ3	U94	7.10383
71	1VHW	ADN	7.11462
72	4GN8	ASO	7.35786
73	1UP7	NAD	7.43405
74	1I7M	CG	7.46269
75	3RK0	AMP	7.59494
76	1UYY	BGC BGC	7.63359
77	3A4T	SFG	8.0292
78	2Z48	NGA	8.10185
79	2Z49	AMG	8.10185
80	1T0S	BML	8.13953
81	1O9W	NAG	8.47458
82	3H0L	ADP	8.51064
83	5OCM	NAP	8.93471
84	2QJY	UQ2	9.66543
85	1FAO	4IP	10.3175
86	3DXY	SAM	10.5505
87	1HXD	BTN	11.215
88	1TZJ	A3B	11.2426
89	1KZL	CRM	11.5385
90	2XG5	EC5	11.5607
91	2XG5	EC2	11.5607
92	4XZ3	COA	13.0435
93	1HE1	AF3	13.3333
94	5N53	8NB	13.3333
95	5TVF	CGQ	14.1176
96	6GNO	XDI	14.8148
97	1L5Y	BEF	15.4839
98	2B99	RDL	16.0256
99	5O96	SAM	17.551
100	1EZ0	NAP	19.2157
101	6MVU	K4V	20.5997
102	5KY9	GDP	22.5
103	5TWJ	SAM	22.8395
104	3IWD	M2T	25
105	1V3S	ATP	26.7241
106	2Y5D	NAP	27.3408
107	5UCD	NAP	33.2604
108	4ZUL	UN1	33.9181
109	4YWV	SSN	35.4839
110	3EFV	NAD	36.7965
111	3VZ3	SSN	37.4179
112	3VZ3	NAP	37.4179
113	3IWJ	NAD	37.5746
114	4I8P	NAD	37.8846
115	4I9B	NAD	38.1045
116	4OE4	NAD	38.2759
117	4A0M	NAD	38.3064
118	6FK3	PPI	38.4328
119	2QE0	NAP	38.5263
120	4NS3	NAD	38.7211
121	3IWK	NAD	38.7674
122	4PXL	NAD	39.0716
123	3RHJ	NAP	39.4584
124	5X5U	NAD	39.604
125	4LH0	GLV	39.6092
126	4I3V	NAD	40.1639
127	5N5S	NAP	40.5825
128	5L2M	6ZY	41.517
129	5L13	6ZE	41.5861
130	1O9J	NAD	41.7166
131	6B5G	NAD	41.785
132	6B5G	CQY	41.785
133	1KY8	NAP	42.515
134	1T90	NAD	43.0041
135	3JZ4	NAP	43.0353
136	2WME	NAP	43.2653
137	2WOX	NDP	43.3538
138	2IMP	NAI	44.4676
139	2IMP	LAC	44.4676
140	2BJK	NAD	45.5426
141	5IUW	IAC	45.674
142	5IUW	NAD	45.674

Pocket No.: 2; Query (leader) PDB : 5KF6; Ligand: TFB; Similar sites found with APoc: 138

This union binding pocket(no: 2) in the query (biounit: 5kf6.bio1) has 34 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	4WG0	CHD	None
2	4AMW	5DI	0.97371
3	1SR9	KIV	1.39752
4	4KCT	PYR	1.40281
5	3A23	GAL	1.4658
6	5WAN	FMN	1.48883
7	6FCX	FAD	1.62602
8	2BP1	FLC	1.66667
9	1ZGS	XMM	1.78971
10	5L2R	MLA	1.82119
11	3B9O	FMN	2.04545
12	1I82	BGC BGC	2.1164
13	5G48	1FL	2.13904
14	1CQ1	PQQ	2.20264
15	2ZID	GLC GLC GLC	2.20994
16	3B4Y	F42	2.24719
17	3R4S	SIA	2.25734
18	2WSI	FAD	2.28758
19	3W5N	RAM	2.30105
20	2GWH	PCI	2.34899
21	3H8V	ATP	2.39726
22	5D63	FUC GLA GLA	2.42915
23	2XN2	GLA	2.45902
24	3OBK	PBG	2.52809
25	2FCU	AKG	2.55591
26	3UG4	AHR	2.57937
27	3APT	FAD	2.58065
28	6FNU	FAD	2.5974
29	2A9W	GA9	2.65152
30	3VWX	GSH	2.7027
31	3WV6	GAL BGC	2.7027
32	2J5V	RGP	2.7248
33	3NZ1	3NY	3.06513
34	1BW9	NAD	3.08989
35	1ZED	PNP	3.09917
36	3B8I	OXL	3.13589
37	3JQQ	A2P	3.16456
38	4XJ2	FMN	3.19149
39	2YPI	PGA	3.23887
40	4MRP	GSH	3.25733
41	5CX6	CDP	3.26241
42	4YMJ	4EJ	3.28947
43	4RL4	PPV	3.30189
44	5WS9	OXL	3.36842
45	3HQP	OXL	3.40681
46	3HQP	FDP	3.40681
47	2O1O	RIS	3.53261
48	3ITJ	CIT	3.5503
49	1UAS	GLA	3.59116
50	1RHC	F42 ACN	3.63636
51	2I6A	5I5	3.76812
52	3FGC	FMN	3.80567
53	4C01	QY9	3.90071
54	5X3R	7Y3	3.90244
55	5JR6	01B PRO PRO ALA NH2	3.91566
56	1P77	ATR	4.04412
57	3H11	ALA ILE GLU THR ASA	4.04412
58	6HKE	MLT	4.08805
59	6HKE	LMR	4.08805
60	1M3U	KPL	4.16667
61	3UN3	G16	4.26065
62	2AY3	MPP	4.31472
63	5KJW	53C	4.44965
64	1SDW	IYT	4.4586
65	4A91	GLU	4.69799
66	2YFO	GLA	4.72222
67	2YFO	GAL	4.72222
68	5C8W	PCG	4.8951
69	2G50	PYR	4.90566
70	4NZF	ARB	4.91071
71	5N1Q	COM	4.98084
72	3ZVS	MLI	5
73	1S9A	BEZ	5.05837
74	1FDJ	13P	5.23416
75	1H8P	PC	5.50459
76	1AXD	GGL CYW GLY	5.74163
77	3NV3	GAL NAG MAN	5.7971
78	3KP6	SAL	5.96026
79	5A07	GDP	5.99078
80	5CC2	CKA	6.03774
81	2VT3	ATP	6.04651
82	3H55	GLA	6.25
83	1S4P	GDP	6.32184
84	4F06	PHB	6.469
85	1A78	TDG	6.71642
86	4IP7	FLC	6.814
87	2D6M	LBT	6.91824
88	1ZEA	DVA DPR GLY DSN DGN DHI DTY DAS DSN	6.94444
89	6CI9	F3V	6.94981
90	4RW3	PLM	7.28477
91	4I9A	NCN	7.29167
92	5DG2	GAL GLC	7.40741
93	1VKF	CIT	7.44681
94	4OSP	2V4	7.60456
95	2REG	CHT	7.71812
96	5H9O	GLC	7.95455
97	2J83	BAT	8.01527
98	4PTN	GXV	8.16327
99	2AJH	MET	8.16327
100	6D61	4AA	8.20513
101	5H9Q	TD2	8.3871
102	2CYB	TYR	8.66873
103	2YIP	YIO	8.69565
104	2X1L	ADN	8.77863
105	4BQS	ADP	9.09091
106	1SC3	MLI	9.09091
107	2YMZ	LAT	9.23077
108	3M3E	GAL A2G NPO	9.31677
109	4IJ6	SEP	9.47867
110	1ZPT	FAD	9.53947
111	2IUW	AKG	9.66387
112	3G5K	BB2	9.83607
113	1UJP	CIT	9.9631
114	1UMZ	BGC BGC XYS BGC XYS GAL	10.0719
115	2BCG	GER	10.1942
116	3S5W	ONH	10.3672
117	1ONI	BEZ	10.8696
118	3EGI	ADP	11.165
119	1QPR	PPC	11.9718
120	1B4B	ARG	12.6761
121	5EPL	5R0 PHE ALA LEU ELY 5R5	13.3333
122	5YZ2	AMP	14.5833
123	5CLO	NS8	15.2542
124	2PA7	TYD	17.0213
125	3RET	SAL	18.8119
126	5L95	AMP	21.25
127	4M1U	A2G MBG	22.8571
128	1UO5	PIH	23.5294
129	2BOS	GLA GAL GLC NBU	27.9412
130	3N9P	OGA	28.125
131	5W97	CHD	37.5
132	5ZCO	PGV	37.5
133	4NMC	FAD	44.0796
134	4NMC	2OP	44.0796
135	4H6Q	TFB	45.8333
136	4H6Q	FAD	45.8333
137	2G37	FAD	46.4832
138	5M42	FMN	46.9534

Pocket No.: 3; Query (leader) PDB : 5KF6; Ligand: FAD; Similar sites found with APoc: 138

This union binding pocket(no: 3) in the query (biounit: 5kf6.bio1) has 34 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	4WG0	CHD	None
2	4AMW	5DI	0.97371
3	1SR9	KIV	1.39752
4	4KCT	PYR	1.40281
5	3A23	GAL	1.4658
6	5WAN	FMN	1.48883
7	6FCX	FAD	1.62602
8	2BP1	FLC	1.66667
9	1ZGS	XMM	1.78971
10	5L2R	MLA	1.82119
11	3B9O	FMN	2.04545
12	1I82	BGC BGC	2.1164
13	5G48	1FL	2.13904
14	1CQ1	PQQ	2.20264
15	2ZID	GLC GLC GLC	2.20994
16	3B4Y	F42	2.24719
17	3R4S	SIA	2.25734
18	2WSI	FAD	2.28758
19	3W5N	RAM	2.30105
20	2GWH	PCI	2.34899
21	3H8V	ATP	2.39726
22	5D63	FUC GLA GLA	2.42915
23	2XN2	GLA	2.45902
24	3OBK	PBG	2.52809
25	2FCU	AKG	2.55591
26	3UG4	AHR	2.57937
27	3APT	FAD	2.58065
28	6FNU	FAD	2.5974
29	2A9W	GA9	2.65152
30	3VWX	GSH	2.7027
31	3WV6	GAL BGC	2.7027
32	2J5V	RGP	2.7248
33	3NZ1	3NY	3.06513
34	1BW9	NAD	3.08989
35	1ZED	PNP	3.09917
36	3B8I	OXL	3.13589
37	3JQQ	A2P	3.16456
38	4XJ2	FMN	3.19149
39	2YPI	PGA	3.23887
40	4MRP	GSH	3.25733
41	5CX6	CDP	3.26241
42	4YMJ	4EJ	3.28947
43	4RL4	PPV	3.30189
44	5WS9	OXL	3.36842
45	3HQP	OXL	3.40681
46	3HQP	FDP	3.40681
47	2O1O	RIS	3.53261
48	3ITJ	CIT	3.5503
49	1UAS	GLA	3.59116
50	1RHC	F42 ACN	3.63636
51	2I6A	5I5	3.76812
52	3FGC	FMN	3.80567
53	4C01	QY9	3.90071
54	5X3R	7Y3	3.90244
55	5JR6	01B PRO PRO ALA NH2	3.91566
56	1P77	ATR	4.04412
57	3H11	ALA ILE GLU THR ASA	4.04412
58	6HKE	MLT	4.08805
59	6HKE	LMR	4.08805
60	1M3U	KPL	4.16667
61	3UN3	G16	4.26065
62	2AY3	MPP	4.31472
63	5KJW	53C	4.44965
64	1SDW	IYT	4.4586
65	4A91	GLU	4.69799
66	2YFO	GLA	4.72222
67	2YFO	GAL	4.72222
68	5C8W	PCG	4.8951
69	2G50	PYR	4.90566
70	4NZF	ARB	4.91071
71	5N1Q	COM	4.98084
72	3ZVS	MLI	5
73	1S9A	BEZ	5.05837
74	1FDJ	13P	5.23416
75	1H8P	PC	5.50459
76	1AXD	GGL CYW GLY	5.74163
77	3NV3	GAL NAG MAN	5.7971
78	3KP6	SAL	5.96026
79	5A07	GDP	5.99078
80	5CC2	CKA	6.03774
81	2VT3	ATP	6.04651
82	3H55	GLA	6.25
83	1S4P	GDP	6.32184
84	4F06	PHB	6.469
85	1A78	TDG	6.71642
86	4IP7	FLC	6.814
87	2D6M	LBT	6.91824
88	1ZEA	DVA DPR GLY DSN DGN DHI DTY DAS DSN	6.94444
89	6CI9	F3V	6.94981
90	4RW3	PLM	7.28477
91	4I9A	NCN	7.29167
92	5DG2	GAL GLC	7.40741
93	1VKF	CIT	7.44681
94	4OSP	2V4	7.60456
95	2REG	CHT	7.71812
96	5H9O	GLC	7.95455
97	2J83	BAT	8.01527
98	4PTN	GXV	8.16327
99	2AJH	MET	8.16327
100	6D61	4AA	8.20513
101	5H9Q	TD2	8.3871
102	2CYB	TYR	8.66873
103	2YIP	YIO	8.69565
104	2X1L	ADN	8.77863
105	4BQS	ADP	9.09091
106	1SC3	MLI	9.09091
107	2YMZ	LAT	9.23077
108	3M3E	GAL A2G NPO	9.31677
109	4IJ6	SEP	9.47867
110	1ZPT	FAD	9.53947
111	2IUW	AKG	9.66387
112	3G5K	BB2	9.83607
113	1UJP	CIT	9.9631
114	1UMZ	BGC BGC XYS BGC XYS GAL	10.0719
115	2BCG	GER	10.1942
116	3S5W	ONH	10.3672
117	1ONI	BEZ	10.8696
118	3EGI	ADP	11.165
119	1QPR	PPC	11.9718
120	1B4B	ARG	12.6761
121	5EPL	5R0 PHE ALA LEU ELY 5R5	13.3333
122	5YZ2	AMP	14.5833
123	5CLO	NS8	15.2542
124	2PA7	TYD	17.0213
125	3RET	SAL	18.8119
126	5L95	AMP	21.25
127	4M1U	A2G MBG	22.8571
128	1UO5	PIH	23.5294
129	2BOS	GLA GAL GLC NBU	27.9412
130	3N9P	OGA	28.125
131	5W97	CHD	37.5
132	5ZCO	PGV	37.5
133	4NMC	2OP	44.0796
134	4NMC	FAD	44.0796
135	4H6Q	TFB	45.8333
136	4H6Q	FAD	45.8333
137	2G37	FAD	46.4832
138	5M42	FMN	46.9534

Pocket No.: 4; Query (leader) PDB : 5KF6; Ligand: FAD; Similar sites found with APoc: 31

This union binding pocket(no: 4) in the query (biounit: 5kf6.bio2) has 30 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	3N9O	OGA	1.51515
2	6GVD	FDK	1.73913
3	5YF9	NIO	1.76991
4	1KTC	NGA	2.22222
5	6H8S	FSZ	2.32558
6	3ZGJ	RMN	2.67206
7	4EKQ	NPO	2.6738
8	2ZZV	LAC	2.77008
9	4DD8	BAT	2.88462
10	2PEL	LAT	2.9661
11	2PEL	LBT	2.9661
12	4L9I	8PR	3.37302
13	5ISY	NAD	3.861
14	1CT9	AMP	4.33996
15	3G6K	FAD	4.87013
16	3G6K	POP	4.87013
17	5KZD	RCJ	5.11945
18	2HIM	ASN	5.58659
19	3EF0	ALF	6.45161
20	4RW3	IPD	7.28477
21	3D1R	FBP	8.90208
22	4URG	C2E	8.98204
23	5F7J	ADE	10.625
24	2CFC	KPC	11.6
25	1MRE	GDP	14.1553
26	1DCP	HBI	14.4231
27	6GNO	XDI	14.8148
28	1WS5	MMA	15
29	4QXB	OGA	23.5294
30	2BHW	XAT	27.5862
31	3N9Q	OGA	41.1765

Pocket No.: 5; Query (leader) PDB : 5KF6; Ligand: TFB; Similar sites found with APoc: 10

This union binding pocket(no: 5) in the query (biounit: 5kf6.bio2) has 8 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	2NVA	PL2	2.15054
2	2HU5	GLY PHE	2.74914
3	5THQ	NDP	3.30882
4	1U6R	ADP	4.73684
5	4R5Z	PMP	4.90463
6	1R4W	GSH	5.75221
7	3WG6	NDP	5.86319
8	1UWC	FER	6.13027
9	5F2K	OCA	6.52174
10	5F2K	SAH	6.52174

Pocket No.: 6; Query (leader) PDB : 5KF6; Ligand: NAD; Similar sites found with APoc: 22

This union binding pocket(no: 6) in the query (biounit: 5kf6.bio2) has 33 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	6E1Q	CFA	1.17647
2	2D3Y	DU	3.65297
3	5Y8L	NAD	4.0678
4	1CT9	AMP	4.33996
5	4TSZ	ACE GLN ALC ASP LEU ZCL	4.61957
6	2GMV	PEP	4.64
7	1VBO	MAN MAN MAN	4.69799
8	1VBO	MAN	4.69799
9	3MWL	8OX	4.83092
10	1O8B	ABF	5.02283
11	5FUI	APY	5.30303
12	4GLW	NMN	5.50607
13	2HIM	ASN	5.58659
14	3G6N	MET ALA SER	5.75916
15	2VT3	ATP	6.04651
16	4LOC	OXM	7.43671
17	1SQF	SAM	7.45921
18	3CBC	DBS	7.57576
19	6AM8	TRP	7.57576
20	5LWY	OLA	8.41121
21	2YN4	39J	11.4407
22	1LK7	DER	15.2838

Pocket No.: 7; Query (leader) PDB : 5KF6; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 7) in the query (biounit: 5kf6.bio3) has 30 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 8; Query (leader) PDB : 5KF6; Ligand: NAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 8) in the query (biounit: 5kf6.bio3) has 33 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 9; Query (leader) PDB : 5KF6; Ligand: TFB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 9) in the query (biounit: 5kf6.bio3) has 34 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 10; Query (leader) PDB : 5KF6; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 10) in the query (biounit: 5kf6.bio3) has 34 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 11; Query (leader) PDB : 5KF6; Ligand: TFB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 11) in the query (biounit: 5kf6.bio3) has 8 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 12; Query (leader) PDB : 5KF6; Ligand: NAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 12) in the query (biounit: 5kf6.bio3) has 33 residues
No:	Leader PDB	Ligand	Sequence Similarity

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