Receptor
PDB id Resolution Class Description Source Keywords
1FND 1.7 Å EC: 1.18.1.2 REFINED CRYSTAL STRUCTURE OF SPINACH FERREDOXIN REDUCTASE AT 1.7 ANGSTROMS RESOLUTION: OXIDIZED, REDUCED, AND 2'- P HOSPHO-5'-AMP BOUND STATES SPINACIA OLERACEA OXIDOREDUCTASE (NADP+(A)FERREDOXIN(A))
Ref.: REFINED CRYSTAL STRUCTURE OF SPINACH FERREDOXIN REDUCTASE AT 1.7 A RESOLUTION: OXIDIZED, REDUCED AND 2'-PHOSPHO-5'-AMP BOUND STATES. J.MOL.BIOL. V. 247 125 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A2P A:316;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
FAD A:315;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
SO4 A:317;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FND 1.7 Å EC: 1.18.1.2 REFINED CRYSTAL STRUCTURE OF SPINACH FERREDOXIN REDUCTASE AT 1.7 ANGSTROMS RESOLUTION: OXIDIZED, REDUCED, AND 2'- P HOSPHO-5'-AMP BOUND STATES SPINACIA OLERACEA OXIDOREDUCTASE (NADP+(A)FERREDOXIN(A))
Ref.: REFINED CRYSTAL STRUCTURE OF SPINACH FERREDOXIN REDUCTASE AT 1.7 A RESOLUTION: OXIDIZED, REDUCED AND 2'-PHOSPHO-5'-AMP BOUND STATES. J.MOL.BIOL. V. 247 125 1995
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 1FNB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1BX1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 1FRN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 1FNC - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
5 1FRQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 1BX0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 1FND - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1QFZ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 1QFY Kd < 0.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1QGA Kd = 5.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 1QG0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 1E63 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 1H42 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 1E62 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 1H85 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 2X3U - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 1B2R - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
11 1GO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 1QUE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 4C43 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 1E64 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 3ZC3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 1GR1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
17 1QGY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
18 1QGZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 3ZBT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
20 2BSA Kd < 0.01 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 1W34 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 2VZL Kd = 550 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 1QH0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
24 1BQE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
25 1OGJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
26 1BJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
27 1OGI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
28 1W35 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
29 4BPR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
30 1GJR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
31 2BMW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
32 2VYQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
33 3ZBU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
34 1QUF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
35 1GAW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
36 1FNB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
37 1BX1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
38 1FRN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
39 1FNC - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
40 1FRQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
41 1BX0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
42 1FND - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
43 1SM4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
44 3VO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
45 3VO1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (60)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1JB9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5VW9 - NCA C6 H6 N2 O c1cc(cnc1)....
3 5VW8 Kd < 0.02 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 5H59 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 5VW3 Kd < 0.02 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 5VW6 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 3LO8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 5VWA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 3LVB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 5VW4 - NCA C6 H6 N2 O c1cc(cnc1)....
11 5VW7 - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
12 5VWB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 5VW2 Kd < 0.02 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 5VW5 - NCA C6 H6 N2 O c1cc(cnc1)....
15 2RC5 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 1QFZ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
17 1QFY Kd < 0.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
18 1QGA Kd = 5.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
19 1QG0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
20 1E63 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
21 1H42 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 1E62 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
23 1H85 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
24 2X3U - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
25 1B2R - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
26 1GO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
27 1QUE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
28 4C43 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
29 1E64 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
30 3ZC3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
31 1GR1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
32 1QGY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
33 1QGZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
34 3ZBT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
35 2BSA Kd < 0.01 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
36 1W34 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
37 2VZL Kd = 550 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 1QH0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
39 1BQE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
40 1OGJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
41 1BJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
42 1OGI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
43 1W35 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
44 4BPR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
45 1GJR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
46 2BMW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
47 2VYQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
48 3ZBU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
49 1QUF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50 1GAW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
51 1FNB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
52 1BX1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
53 1FRN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
54 1FNC - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
55 1FRQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
56 1BX0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
57 1FND - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
58 1SM4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
59 3VO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
60 3VO1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A2P; Similar ligands found: 274
No: Ligand ECFP6 Tc MDL keys Tc
1 A2P 1 1
2 ATR 0.835616 0.985294
3 2AM 0.80597 0.956522
4 A2R 0.772152 0.943662
5 A22 0.7625 0.943662
6 25A 0.731707 0.957143
7 NA7 0.72619 0.917808
8 V3L 0.7 0.957143
9 AMP 0.684932 0.956522
10 A 0.684932 0.956522
11 A3P 0.684211 0.985294
12 OVE 0.675676 0.916667
13 7D5 0.643836 0.888889
14 3AM 0.626667 0.942029
15 25L 0.626374 0.943662
16 PO4 PO4 A A A A PO4 0.611111 0.942029
17 NPW 0.598039 0.848101
18 NDP 0.598039 0.881579
19 XNP 0.596154 0.858974
20 PAP 0.595238 0.971014
21 NZQ 0.592233 0.87013
22 TXP 0.592233 0.881579
23 ODP 0.586538 0.87013
24 NJP 0.586538 0.905405
25 A2D 0.575 0.929577
26 ABM 0.575 0.902778
27 PPS 0.574713 0.858974
28 ADP 0.573171 0.957143
29 SRA 0.56962 0.90411
30 AN2 0.566265 0.943662
31 2A5 0.564706 0.90411
32 AMP MG 0.5625 0.876712
33 BA3 0.560976 0.929577
34 A12 0.560976 0.917808
35 AP2 0.560976 0.917808
36 SAP 0.55814 0.905405
37 AGS 0.55814 0.905405
38 AP5 0.554217 0.929577
39 B4P 0.554217 0.929577
40 ATP 0.552941 0.957143
41 7D3 0.548781 0.890411
42 5FA 0.546512 0.957143
43 AQP 0.546512 0.957143
44 APC 0.546512 0.917808
45 RAB 0.541667 0.802817
46 XYA 0.541667 0.802817
47 ADN 0.541667 0.802817
48 7D4 0.541176 0.890411
49 AU1 0.541176 0.930556
50 ADX 0.541176 0.835443
51 CA0 0.541176 0.90411
52 M33 0.541176 0.916667
53 NAP 0.539823 0.930556
54 DG1 0.535088 0.881579
55 1DG 0.535088 0.881579
56 TAP 0.535088 0.893333
57 50T 0.534884 0.916667
58 ACP 0.534884 0.930556
59 NA0 0.530435 0.917808
60 PRX 0.528736 0.878378
61 APR 0.528736 0.929577
62 AR6 0.528736 0.929577
63 ACQ 0.52809 0.930556
64 TAT 0.52809 0.917808
65 DA 0.52439 0.915493
66 D5M 0.52439 0.915493
67 ADP MG 0.523256 0.890411
68 ADV 0.522727 0.891892
69 RBY 0.522727 0.891892
70 AD9 0.522727 0.930556
71 ADQ 0.521277 0.90411
72 ADP BEF 0.517241 0.866667
73 BEF ADP 0.517241 0.866667
74 SON 0.511628 0.917808
75 ANP 0.511111 0.930556
76 NMN AMP PO4 0.509091 0.855263
77 7D7 0.506849 0.75
78 ADP PO3 0.505618 0.928571
79 5AL 0.505495 0.916667
80 ATF 0.5 0.917808
81 ATP MG 0.5 0.890411
82 AV2 0.5 0.929577
83 CO7 0.495935 0.770115
84 AR6 AR6 0.495146 0.902778
85 ADP BMA 0.494845 0.878378
86 ENP 0.494845 0.878378
87 OAD 0.494845 0.90411
88 5SV 0.494737 0.833333
89 SRP 0.494624 0.891892
90 GAP 0.494505 0.878378
91 101 0.493976 0.888889
92 5N5 0.486842 0.777778
93 BIS 0.484848 0.893333
94 PTJ 0.484848 0.881579
95 00A 0.484536 0.868421
96 MAP 0.484211 0.905405
97 ALF ADP 0.483871 0.855263
98 ADP ALF 0.483871 0.855263
99 5AS 0.482759 0.764706
100 N01 0.482456 0.890411
101 A4D 0.480519 0.777778
102 5CD 0.480519 0.788732
103 OOB 0.479167 0.916667
104 8QN 0.479167 0.916667
105 ADP VO4 0.478723 0.916667
106 VO4 ADP 0.478723 0.916667
107 ANP MG 0.478723 0.88
108 3AT 0.478261 0.957143
109 DTA 0.475 0.77027
110 A A 0.474747 0.929577
111 AMO 0.474227 0.891892
112 4AD 0.474227 0.88
113 PAJ 0.474227 0.846154
114 A1R 0.474227 0.868421
115 AOC 0.470588 0.805556
116 A3G 0.470588 0.76
117 FYA 0.47 0.890411
118 1ZZ 0.47 0.825
119 3OD 0.47 0.90411
120 DLL 0.469388 0.916667
121 AHX 0.469388 0.857143
122 MTA 0.469136 0.756757
123 0WD 0.469027 0.881579
124 DAL AMP 0.46875 0.890411
125 UPA 0.46789 0.868421
126 DAT 0.466667 0.916667
127 5X8 0.466667 0.746667
128 2VA 0.466667 0.76
129 TM1 0.465347 0.802469
130 3UK 0.464646 0.90411
131 A A A 0.464646 0.890411
132 APU 0.463636 0.905405
133 EP4 0.4625 0.736842
134 DTP 0.462366 0.916667
135 9SN 0.460784 0.857143
136 WAQ 0.46 0.868421
137 PR8 0.46 0.835443
138 LAD 0.46 0.846154
139 6RE 0.458824 0.74359
140 3DH 0.457831 0.756757
141 M2T 0.45679 0.717949
142 ATP A A A 0.456311 0.915493
143 ME8 0.455446 0.825
144 NB8 0.455446 0.857143
145 TXA 0.455446 0.891892
146 JB6 0.455446 0.868421
147 GGZ 0.453608 0.833333
148 5AD 0.453333 0.753623
149 ANZ 0.45283 0.831169
150 G5A 0.451613 0.764706
151 VRT 0.451613 0.730769
152 SO8 0.451613 0.75
153 MYR AMP 0.45098 0.802469
154 PUA 0.449153 0.87013
155 Y3J 0.448718 0.732394
156 IMO 0.448276 0.914286
157 AS 0.448276 0.866667
158 103 0.447059 0.847222
159 ACK 0.447059 0.898551
160 QQY 0.447059 0.849315
161 OMR 0.445455 0.814815
162 A3S 0.444444 0.77027
163 3AD 0.443038 0.814286
164 FA5 0.442308 0.891892
165 YAP 0.442308 0.88
166 AFH 0.439252 0.846154
167 TSB 0.438776 0.783133
168 XAH 0.438095 0.825
169 TYR AMP 0.438095 0.866667
170 A U 0.4375 0.855263
171 A5A 0.4375 0.792683
172 DSH 0.436782 0.708861
173 NAX 0.436364 0.835443
174 NAI 0.436364 0.868421
175 QQX 0.435294 0.837838
176 A3T 0.434783 0.780822
177 4UV 0.433962 0.88
178 SSA 0.43299 0.764706
179 J7C 0.431818 0.753247
180 DDS 0.431579 0.888889
181 LAQ 0.431193 0.825
182 ZAS 0.430233 0.75
183 G3A 0.429907 0.881579
184 DCA 0.428571 0.788235
185 54H 0.428571 0.77381
186 VMS 0.428571 0.77381
187 ETB 0.428571 0.797619
188 AP0 0.428571 0.857143
189 CC5 0.428571 0.8
190 52H 0.428571 0.764706
191 48N 0.427273 0.857143
192 8BR 0.426966 0.891892
193 S4M 0.426966 0.651163
194 4UU 0.425926 0.88
195 7MD 0.425926 0.825
196 G5P 0.425926 0.881579
197 NVA 2AD 0.425532 0.75
198 3L1 0.425 0.756757
199 3D1 0.425 0.756757
200 53H 0.424242 0.764706
201 5CA 0.424242 0.764706
202 4UW 0.423423 0.846154
203 6V0 0.423423 0.857143
204 TXD 0.423423 0.868421
205 UP5 0.423423 0.88
206 PAX 0.422764 0.8375
207 MAO 0.422222 0.743902
208 71V 0.422222 0.868421
209 TAD 0.422018 0.846154
210 GTA 0.422018 0.848101
211 COA 0.421488 0.788235
212 0T1 0.421488 0.788235
213 SAH 0.421053 0.727273
214 AMP DBH 0.420561 0.853333
215 NEC 0.420455 0.72973
216 ALF ADP 3PG 0.419643 0.822785
217 TXE 0.419643 0.868421
218 TYM 0.419643 0.891892
219 LA8 ALF 3PG 0.419643 0.822785
220 SFG 0.419355 0.733333
221 NDO 0.418033 0.90411
222 P5A 0.417476 0.730337
223 139 0.417391 0.835443
224 4TC 0.415929 0.857143
225 LSS 0.415842 0.747126
226 NSS 0.415842 0.764706
227 DSZ 0.415842 0.764706
228 AAM 0.41573 0.956522
229 A3N 0.41573 0.746667
230 WMP 0.415254 0.876712
231 LPA AMP 0.414414 0.802469
232 YLP 0.414414 0.804878
233 ZZB 0.413793 0.802469
234 A7D 0.413043 0.76
235 NVA LMS 0.411765 0.747126
236 C2R 0.411765 0.863014
237 AMZ 0.411765 0.875
238 30N 0.41129 0.72043
239 AMX 0.41129 0.797619
240 COS 0.41129 0.770115
241 CAO 0.41129 0.761364
242 GJV 0.411111 0.734177
243 DND 0.410714 0.891892
244 NXX 0.410714 0.891892
245 128 0.410714 0.783133
246 SA8 0.410526 0.691358
247 A5D 0.410526 0.77027
248 PGS 0.408602 0.844156
249 2SA 0.408163 0.891892
250 CMX 0.408 0.788235
251 SCO 0.408 0.788235
252 LEU LMS 0.407767 0.747126
253 G A A A 0.40678 0.857143
254 6C6 0.40625 0.866667
255 SAI 0.40625 0.717949
256 CA6 0.40625 0.697917
257 ARG AMP 0.405405 0.814815
258 AHZ 0.405405 0.802469
259 12D 0.405405 0.792683
260 ADJ 0.405172 0.814815
261 FAM 0.404762 0.770115
262 FCX 0.404762 0.761364
263 ACO 0.404762 0.761364
264 S7M 0.40404 0.674699
265 KAA 0.403846 0.738636
266 GSU 0.403846 0.764706
267 YLC 0.403509 0.825
268 7MC 0.403509 0.804878
269 YLB 0.403509 0.804878
270 NIA 0.402299 0.807692
271 2GP 0.402174 0.891892
272 6IA 0.402062 0.822785
273 HAX 0.401575 0.770115
274 A4P 0.4 0.807229
Ligand no: 2; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FND; Ligand: A2P; Similar sites found: 68
This union binding pocket(no: 1) in the query (biounit: 1fnd.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1KQR MNA 0.01072 0.41835 2.23464
2 2P3I MNA 0.02513 0.40172 2.48447
3 5E6O TRP GLU GLU LEU 0.02239 0.41778 2.54237
4 3BY9 SIN 0.03592 0.41602 2.69231
5 3FIU POP 0.01849 0.42792 2.81124
6 1PVC ILE SER GLU VAL 0.004053 0.46885 2.94118
7 1J1R ADE 0.0394 0.41036 3.06513
8 4DS0 A2G GAL NAG FUC 0.02739 0.4056 3.06748
9 4F07 FAD 0.01611 0.40099 3.15789
10 1WLJ U5P 0.02631 0.4136 3.1746
11 1KZL CRM 0.004193 0.45125 3.36538
12 1NE7 16G 0.00834 0.44518 3.46021
13 1RZU ADP 0.007549 0.43392 3.50318
14 4BC5 5FX 0.0112 0.43279 3.50318
15 4WCX MET 0.01624 0.43036 3.50318
16 1DKU AP2 0.01846 0.41064 3.50318
17 3BJE URA 0.04208 0.40987 3.50318
18 4RHS SIA SIA GAL 0.01822 0.42596 4.09836
19 3MQ2 SAH 0.0168 0.40618 4.58716
20 2Z4T C5P 0.01121 0.42935 4.77707
21 1VAY AZA 0.03303 0.41592 4.87805
22 5N53 8NB 0.04634 0.40685 5.09554
23 3WJO IPE 0.02213 0.42294 5.41401
24 3B6C SDN 0.04862 0.40358 5.55556
25 4BWL MN9 0.0144 0.43462 5.92105
26 2WPB ZZI 0.02735 0.41726 5.92105
27 1VHZ APR 0.04449 0.40693 6.56566
28 5O0X FAD 0.000008776 0.58825 6.87285
29 4YRY NAD 0.00000005896 0.49931 7.24638
30 4YHB FAD 0.0005679 0.44765 7.32601
31 4WQM FAD 0.00000008466 0.50526 7.96178
32 4ONT SIA GAL BGC 0.03172 0.41356 9.30233
33 1T9M FMN 0.01461 0.40905 9.34579
34 4CQK PIO 0.04929 0.40478 10.6383
35 1QX4 FAD 0.0000008778 0.52496 10.828
36 3OZV FAD 0.000008039 0.44622 12.4204
37 3OZV ECN 0.00003826 0.40921 12.4204
38 2QQC AG2 0.01212 0.43827 16.9811
39 4G1V FAD 0.00000208 0.48105 17.1975
40 1N13 AG2 0.009279 0.44486 17.3077
41 2EIX FAD 0.00001326 0.50573 19.1083
42 1KRH FAD 0.00000007513 0.48827 19.4268
43 1A8P FAD 0.000001501 0.58234 19.7674
44 3A3B FMN 0.008093 0.44109 20.0637
45 3A3B RBF 0.01073 0.43465 20.0637
46 3CRZ NAP 0.00000000003085 0.66564 21.0117
47 3CRZ FAD 0.0000002916 0.60742 21.0117
48 2PIA FMN 0.00003961 0.51844 21.0191
49 2CND FAD 0.000001318 0.58487 21.1111
50 4DQL NAP 0.0000000000007453 0.70098 28.0255
51 4DQL FAD 0.000000005884 0.6591 28.0255
52 3W2E FAD 0.00000006445 0.57669 28.4133
53 3W2E NAD 0.00000006445 0.57669 28.4133
54 4U9U FAD 0.00000001806 0.66069 28.6624
55 1F20 FAD 0.000000004999 0.69372 28.9809
56 1F20 NAP 0.00000163 0.60901 28.9809
57 5GXU FAD 0.00000001979 0.61769 30.5732
58 1TLL FAD 0.000000001435 0.71808 32.4841
59 1TLL NAP 0.000005329 0.53078 32.4841
60 2QTZ FAD 0.000000004007 0.71628 32.8025
61 2QTZ NAP 0.00000000007235 0.6626 32.8025
62 3FJO FAD 0.00000001059 0.69653 35.6688
63 5FA6 FMN 0.0000000001379 0.47875 35.6688
64 5FA6 FAD 0.0000000001379 0.47875 35.6688
65 5FA6 NAP 0.0000000001479 0.475 35.6688
66 3QFS FAD 0.00000000001074 0.66506 35.9873
67 3QFS NAP 0.00000000001074 0.66506 35.9873
68 1DDG FAD 0.00000003514 0.64795 37.2611
Pocket No.: 2; Query (leader) PDB : 1FND; Ligand: FAD; Similar sites found: 67
This union binding pocket(no: 2) in the query (biounit: 1fnd.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1KQR MNA 0.01072 0.41835 2.23464
2 5E6O TRP GLU GLU LEU 0.02239 0.41778 2.54237
3 3BY9 SIN 0.03592 0.41602 2.69231
4 3FIU POP 0.01849 0.42792 2.81124
5 4DS0 A2G GAL NAG FUC 0.02739 0.4056 3.06748
6 4F07 FAD 0.01611 0.40099 3.15789
7 1RZU ADP 0.007549 0.43392 3.50318
8 4BC5 5FX 0.0112 0.43279 3.50318
9 4WCX MET 0.01624 0.43036 3.50318
10 4MOB ADP 0.01639 0.42995 3.50318
11 1DKU AP2 0.01846 0.41064 3.50318
12 3BJE URA 0.04208 0.40987 3.50318
13 4RHS SIA SIA GAL 0.01822 0.42596 4.09836
14 3MQ2 SAH 0.0168 0.40618 4.58716
15 2Z4T C5P 0.01121 0.42935 4.77707
16 5N53 8NB 0.04634 0.40685 5.09554
17 1EJE FMN 0.01095 0.41169 5.20833
18 3WJO IPE 0.02213 0.42294 5.41401
19 3B6C SDN 0.04862 0.40358 5.55556
20 4BWL MN9 0.0144 0.43462 5.92105
21 2WPB ZZI 0.02735 0.41726 5.92105
22 1VHZ APR 0.04449 0.40693 6.56566
23 5O0X FAD 0.000008776 0.58825 6.87285
24 3QDY CBS 0.04568 0.41004 6.99301
25 3QDW NDG 0.04912 0.40683 6.99301
26 4YRY NAD 0.00000005896 0.49931 7.24638
27 4YHB FAD 0.0005679 0.44765 7.32601
28 4WQM FAD 0.00000008466 0.50526 7.96178
29 1EP2 FAD 0.0004552 0.4588 9.1954
30 4ONT SIA GAL BGC 0.03172 0.41356 9.30233
31 1T9M FMN 0.01461 0.40905 9.34579
32 4CQK PIO 0.04929 0.40478 10.6383
33 1QX4 FAD 0.0000008778 0.52496 10.828
34 3UEC ALA ARG TPO LYS 0.0292 0.42144 12.3288
35 3OZV FAD 0.000008039 0.50341 12.4204
36 3OZV ECN 0.00003826 0.48276 12.4204
37 2QQC AG2 0.01212 0.43827 16.9811
38 4G1V FAD 0.000002861 0.48105 17.1975
39 1N13 AG2 0.009279 0.44486 17.3077
40 2EIX FAD 0.00001326 0.50573 19.1083
41 1KRH FAD 0.00000007513 0.48827 19.4268
42 1A8P FAD 0.000001501 0.58234 19.7674
43 3A3B FMN 0.008093 0.44109 20.0637
44 3A3B RBF 0.01073 0.43465 20.0637
45 3CRZ NAP 0.00000000003085 0.66564 21.0117
46 3CRZ FAD 0.0000002916 0.60742 21.0117
47 2PIA FMN 0.00003961 0.41469 21.0191
48 2CND FAD 0.000001318 0.58487 21.1111
49 4DQL NAP 0.0000000000007453 0.70098 28.0255
50 4DQL FAD 0.000000005884 0.6591 28.0255
51 3W2E FAD 0.00000006445 0.57669 28.4133
52 3W2E NAD 0.00000006445 0.57669 28.4133
53 4U9U FAD 0.00000001806 0.66069 28.6624
54 1F20 FAD 0.000000004999 0.69372 28.9809
55 1F20 NAP 0.00000163 0.60901 28.9809
56 5GXU FAD 0.00000001979 0.61769 30.5732
57 1TLL FAD 0.000000001435 0.53088 32.4841
58 1TLL NAP 0.000005329 0.46532 32.4841
59 2QTZ NAP 0.00000000007235 0.6743 32.8025
60 2QTZ FAD 0.000000004007 0.50499 32.8025
61 3FJO FAD 0.00000001059 0.49233 35.6688
62 5FA6 FMN 0.0000000001379 0.47875 35.6688
63 5FA6 FAD 0.0000000001379 0.47875 35.6688
64 5FA6 NAP 0.0000000001479 0.475 35.6688
65 3QFS FAD 0.00000000001074 0.66506 35.9873
66 3QFS NAP 0.00000000001074 0.66506 35.9873
67 1DDG FAD 0.00000003514 0.64795 37.2611
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