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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 25 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 17 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 9 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: 285
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 TXP 0.592233 0.881579
22 NZQ 0.592233 0.87013
23 NJP 0.586538 0.905405
24 ODP 0.586538 0.87013
25 ABM 0.575 0.902778
26 A2D 0.575 0.929577
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 AP2 0.560976 0.917808
33 A12 0.560976 0.917808
34 BA3 0.560976 0.929577
35 AGS 0.55814 0.905405
36 SAP 0.55814 0.905405
37 B4P 0.554217 0.929577
38 AP5 0.554217 0.929577
39 HEJ 0.552941 0.957143
40 ATP 0.552941 0.957143
41 7D3 0.548781 0.890411
42 AT4 0.547619 0.917808
43 5FA 0.546512 0.957143
44 APC 0.546512 0.917808
45 AQP 0.546512 0.957143
46 ADN 0.541667 0.802817
47 RAB 0.541667 0.802817
48 XYA 0.541667 0.802817
49 CA0 0.541176 0.90411
50 7D4 0.541176 0.890411
51 M33 0.541176 0.916667
52 AU1 0.541176 0.930556
53 ADX 0.541176 0.835443
54 NAP 0.539823 0.930556
55 DG1 0.535088 0.881579
56 TAP 0.535088 0.893333
57 1DG 0.535088 0.881579
58 ACP 0.534884 0.930556
59 50T 0.534884 0.916667
60 NA0 0.530435 0.917808
61 7L1 0.530435 0.761364
62 APR 0.528736 0.929577
63 AR6 0.528736 0.929577
64 PRX 0.528736 0.878378
65 T99 0.52809 0.917808
66 ACQ 0.52809 0.930556
67 TAT 0.52809 0.917808
68 DA 0.52439 0.915493
69 D5M 0.52439 0.915493
70 ADV 0.522727 0.891892
71 RBY 0.522727 0.891892
72 AD9 0.522727 0.930556
73 ADQ 0.521277 0.90411
74 LMS 0.518519 0.8125
75 SON 0.511628 0.917808
76 ANP 0.511111 0.930556
77 6YZ 0.51087 0.930556
78 NMN AMP PO4 0.509091 0.855263
79 7D7 0.506849 0.75
80 ADP PO3 0.505618 0.928571
81 5AL 0.505495 0.916667
82 ATF 0.5 0.917808
83 AV2 0.5 0.929577
84 CO7 0.495935 0.770115
85 AR6 AR6 0.495146 0.902778
86 OAD 0.494845 0.90411
87 9X8 0.494845 0.88
88 ENP 0.494845 0.878378
89 ADP BMA 0.494845 0.878378
90 5SV 0.494737 0.833333
91 SRP 0.494624 0.891892
92 GAP 0.494505 0.878378
93 101 0.493976 0.888889
94 5N5 0.486842 0.777778
95 BIS 0.484848 0.893333
96 PTJ 0.484848 0.881579
97 00A 0.484536 0.868421
98 MAP 0.484211 0.905405
99 ADP ALF 0.483871 0.855263
100 ALF ADP 0.483871 0.855263
101 5AS 0.482759 0.764706
102 N01 0.482456 0.890411
103 5CD 0.480519 0.788732
104 A4D 0.480519 0.777778
105 9ZD 0.479167 0.893333
106 OOB 0.479167 0.916667
107 9ZA 0.479167 0.893333
108 8QN 0.479167 0.916667
109 ADP VO4 0.478723 0.916667
110 VO4 ADP 0.478723 0.916667
111 3AT 0.478261 0.957143
112 DTA 0.475 0.77027
113 A A 0.474747 0.929577
114 4AD 0.474227 0.88
115 A1R 0.474227 0.868421
116 PAJ 0.474227 0.846154
117 AMO 0.474227 0.891892
118 A3R 0.474227 0.868421
119 A3G 0.470588 0.76
120 AOC 0.470588 0.805556
121 1ZZ 0.47 0.825
122 3OD 0.47 0.90411
123 FYA 0.47 0.890411
124 AHX 0.469388 0.857143
125 DLL 0.469388 0.916667
126 MTA 0.469136 0.756757
127 0WD 0.469027 0.881579
128 DAL AMP 0.46875 0.890411
129 UPA 0.46789 0.868421
130 2VA 0.466667 0.76
131 5X8 0.466667 0.746667
132 DAT 0.466667 0.916667
133 TM1 0.465347 0.802469
134 A A A 0.464646 0.890411
135 3UK 0.464646 0.90411
136 APU 0.463636 0.905405
137 EP4 0.4625 0.736842
138 DTP 0.462366 0.916667
139 9SN 0.460784 0.857143
140 WAQ 0.46 0.868421
141 LAD 0.46 0.846154
142 B5V 0.46 0.891892
143 PR8 0.46 0.835443
144 6RE 0.458824 0.74359
145 3DH 0.457831 0.756757
146 M2T 0.45679 0.717949
147 NVA 2AD 0.456522 0.721519
148 ATP A A A 0.456311 0.915493
149 ME8 0.455446 0.825
150 JB6 0.455446 0.868421
151 NB8 0.455446 0.857143
152 TXA 0.455446 0.891892
153 GGZ 0.453608 0.833333
154 5AD 0.453333 0.753623
155 ANZ 0.45283 0.831169
156 G5A 0.451613 0.764706
157 SO8 0.451613 0.75
158 VRT 0.451613 0.730769
159 MYR AMP 0.45098 0.802469
160 PUA 0.449153 0.87013
161 Y3J 0.448718 0.732394
162 IMO 0.448276 0.914286
163 AS 0.448276 0.866667
164 QQY 0.447059 0.849315
165 103 0.447059 0.847222
166 ACK 0.447059 0.898551
167 OMR 0.445455 0.814815
168 A3S 0.444444 0.77027
169 3AD 0.443038 0.814286
170 FA5 0.442308 0.891892
171 YAP 0.442308 0.88
172 B5Y 0.442308 0.88
173 B5M 0.442308 0.88
174 AFH 0.439252 0.846154
175 TSB 0.438776 0.783133
176 XAH 0.438095 0.825
177 A5A 0.4375 0.792683
178 A U 0.4375 0.855263
179 DSH 0.436782 0.708861
180 NAX 0.436364 0.835443
181 NAI 0.436364 0.868421
182 QQX 0.435294 0.837838
183 A3T 0.434783 0.780822
184 4UV 0.433962 0.88
185 TYR AMP 0.433962 0.855263
186 SSA 0.43299 0.764706
187 J7C 0.431818 0.753247
188 DDS 0.431579 0.888889
189 LAQ 0.431193 0.825
190 ZAS 0.430233 0.75
191 G3A 0.429907 0.881579
192 52H 0.428571 0.764706
193 ETB 0.428571 0.797619
194 AP0 0.428571 0.857143
195 CC5 0.428571 0.8
196 VMS 0.428571 0.77381
197 54H 0.428571 0.77381
198 DCA 0.428571 0.788235
199 48N 0.427273 0.857143
200 S4M 0.426966 0.651163
201 8BR 0.426966 0.891892
202 7MD 0.425926 0.825
203 G5P 0.425926 0.881579
204 ARG AMP 0.425926 0.814815
205 GA7 0.425926 0.866667
206 4UU 0.425926 0.88
207 3L1 0.425 0.756757
208 3D1 0.425 0.756757
209 5CA 0.424242 0.764706
210 8X1 0.424242 0.738636
211 53H 0.424242 0.764706
212 6V0 0.423423 0.857143
213 4UW 0.423423 0.846154
214 TXD 0.423423 0.868421
215 UP5 0.423423 0.88
216 PAX 0.422764 0.8375
217 MAO 0.422222 0.743902
218 71V 0.422222 0.868421
219 DQV 0.422018 0.916667
220 TAD 0.422018 0.846154
221 GTA 0.422018 0.848101
222 COA 0.421488 0.788235
223 0T1 0.421488 0.788235
224 SAH 0.421053 0.727273
225 AMP DBH 0.420561 0.853333
226 NEC 0.420455 0.72973
227 TYM 0.419643 0.891892
228 TXE 0.419643 0.868421
229 SFG 0.419355 0.733333
230 NDO 0.418033 0.90411
231 P5A 0.417476 0.730337
232 139 0.417391 0.835443
233 4TC 0.415929 0.857143
234 DSZ 0.415842 0.764706
235 NSS 0.415842 0.764706
236 LSS 0.415842 0.747126
237 A3N 0.41573 0.746667
238 AAM 0.41573 0.956522
239 WMP 0.415254 0.876712
240 LPA AMP 0.414414 0.802469
241 YLP 0.414414 0.804878
242 ZZB 0.413793 0.802469
243 A7D 0.413043 0.76
244 C2R 0.411765 0.863014
245 AMZ 0.411765 0.875
246 NVA LMS 0.411765 0.738636
247 CAO 0.41129 0.761364
248 COS 0.41129 0.770115
249 30N 0.41129 0.72043
250 AMX 0.41129 0.797619
251 GJV 0.411111 0.734177
252 NXX 0.410714 0.891892
253 DND 0.410714 0.891892
254 128 0.410714 0.783133
255 SA8 0.410526 0.691358
256 A5D 0.410526 0.77027
257 PGS 0.408602 0.844156
258 A C A C 0.408333 0.833333
259 2SA 0.408163 0.891892
260 SCO 0.408 0.788235
261 CMX 0.408 0.788235
262 LEU LMS 0.407767 0.738636
263 G A A A 0.40678 0.857143
264 SAI 0.40625 0.717949
265 6C6 0.40625 0.866667
266 CA6 0.40625 0.697917
267 12D 0.405405 0.792683
268 AHZ 0.405405 0.802469
269 ADJ 0.405172 0.814815
270 FCX 0.404762 0.761364
271 ACO 0.404762 0.761364
272 FAM 0.404762 0.770115
273 S7M 0.40404 0.674699
274 GSU 0.403846 0.764706
275 KAA 0.403846 0.738636
276 YLC 0.403509 0.825
277 7MC 0.403509 0.804878
278 YLB 0.403509 0.804878
279 NIA 0.402299 0.807692
280 2GP 0.402174 0.891892
281 6IA 0.402062 0.822785
282 HAX 0.401575 0.770115
283 9K8 0.4 0.7
284 A4P 0.4 0.807229
285 80F 0.4 0.804878
Ligand no: 2; 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 : 1FND; Ligand: A2P; Similar sites found with APoc: 100
This union binding pocket(no: 1) in the query (biounit: 1fnd.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1RJW ETF 1.91083
2 1KQR MNA 2.23464
3 2P3I MNA 2.48447
4 5E6O TRP GLU GLU LEU 2.54237
5 3BY9 SIN 2.69231
6 6EK3 OUL 2.71493
7 3FIU POP 2.81124
8 1PVC ILE SER GLU VAL 2.94118
9 1J1R ADE 3.06513
10 4DS0 A2G GAL NAG FUC 3.06748
11 1WK8 VMS 3.09278
12 4F07 FAD 3.15789
13 1WLJ U5P 3.1746
14 1KZL CRM 3.36538
15 3RK0 AMP 3.37553
16 1NE7 16G 3.46021
17 3CB0 FMN 3.46821
18 1RZU ADP 3.50318
19 4BC5 5FX 3.50318
20 4WCX MET 3.50318
21 4MOB ADP 3.50318
22 1DKU AP2 3.50318
23 3BJE URA 3.50318
24 5WHT SIA GAL 3.62319
25 5WHT SIA GAL GLC 3.62319
26 5GZZ GSH 3.82166
27 4RHS SIA SIA GAL 4.09836
28 3ZUY TCH 4.14013
29 2ASF CIT 4.37956
30 3MQ2 SAH 4.58716
31 2Z4T C5P 4.77707
32 1VAY AZA 4.87805
33 5OFW 9TW 5.09554
34 5VKM GAL SIA 5.09554
35 5N53 8NB 5.09554
36 3WJO IPE 5.41401
37 3B6C SDN 5.55556
38 5GQI CTP 5.66802
39 2WPB ZZI 5.92105
40 4BWL MN9 5.92105
41 2CHT TSA 6.29921
42 4HMX FMN 6.51163
43 1VHZ APR 6.56566
44 5O0X FAD 6.87285
45 3QDV NDG 6.99301
46 3QDY CBS 6.99301
47 3QDW NDG 6.99301
48 4YRY NAD 7.24638
49 4YRY FAD 7.24638
50 4YHB FAD 7.32601
51 4WQM FAD 7.96178
52 4G6I RS3 8.09524
53 4LO6 SIA GAL 8.9172
54 5JCA FAD 8.9172
55 1EP2 FAD 9.1954
56 4ONT SIA GAL BGC 9.30233
57 1T9M FMN 9.34579
58 6FHQ DE5 10.3448
59 5KK4 44E 10.4167
60 4CQK PIO 10.6383
61 1QX4 FAD 10.828
62 3UEC ALA ARG TPO LYS 12.3288
63 3OZV FAD 12.4204
64 3OZV ECN 12.4204
65 6GEH FAD 14.4531
66 2QQC AG2 16.9811
67 2QQD AG2 16.9811
68 5YLY FAD 17.1233
69 4G1V FAD 17.1975
70 1N13 AG2 17.3077
71 1MT1 AG2 17.3077
72 2EIX FAD 19.1083
73 1KRH FAD 19.4268
74 1A8P FAD 19.7674
75 3A3B FMN 20.0637
76 3A3B RBF 20.0637
77 3CRZ NAP 21.0117
78 3CRZ FAD 21.0117
79 2PIA FMN 21.0191
80 2CND FAD 21.1111
81 5OGX FAD 22.293
82 4DQL NAP 28.0255
83 4DQL FAD 28.0255
84 3W2E FAD 28.4133
85 3W2E NAD 28.4133
86 4U9U FAD 28.6624
87 1F20 FAD 28.9809
88 1F20 NAP 28.9809
89 5GXU FAD 30.5732
90 1TLL FAD 32.4841
91 1TLL NAP 32.4841
92 2QTZ FAD 32.8025
93 2QTZ NAP 32.8025
94 3FJO FAD 35.6688
95 5FA6 FMN 35.6688
96 5FA6 FAD 35.6688
97 5FA6 NAP 35.6688
98 3QFS FAD 35.9873
99 3QFS NAP 35.9873
100 1DDG FAD 37.2611
Pocket No.: 2; Query (leader) PDB : 1FND; Ligand: FAD; Similar sites found with APoc: 100
This union binding pocket(no: 2) in the query (biounit: 1fnd.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1RJW ETF 1.91083
2 1KQR MNA 2.23464
3 2P3I MNA 2.48447
4 5E6O TRP GLU GLU LEU 2.54237
5 3BY9 SIN 2.69231
6 6EK3 OUL 2.71493
7 3FIU POP 2.81124
8 1PVC ILE SER GLU VAL 2.94118
9 1J1R ADE 3.06513
10 4DS0 A2G GAL NAG FUC 3.06748
11 1WK8 VMS 3.09278
12 4F07 FAD 3.15789
13 1WLJ U5P 3.1746
14 1KZL CRM 3.36538
15 3RK0 AMP 3.37553
16 1NE7 16G 3.46021
17 3CB0 FMN 3.46821
18 1RZU ADP 3.50318
19 4BC5 5FX 3.50318
20 4WCX MET 3.50318
21 4MOB ADP 3.50318
22 1DKU AP2 3.50318
23 3BJE URA 3.50318
24 5WHT SIA GAL 3.62319
25 5WHT SIA GAL GLC 3.62319
26 5GZZ GSH 3.82166
27 4RHS SIA SIA GAL 4.09836
28 3ZUY TCH 4.14013
29 2ASF CIT 4.37956
30 3MQ2 SAH 4.58716
31 2Z4T C5P 4.77707
32 1VAY AZA 4.87805
33 5OFW 9TW 5.09554
34 5VKM GAL SIA 5.09554
35 5N53 8NB 5.09554
36 3WJO IPE 5.41401
37 3B6C SDN 5.55556
38 5GQI CTP 5.66802
39 2WPB ZZI 5.92105
40 4BWL MN9 5.92105
41 2CHT TSA 6.29921
42 4HMX FMN 6.51163
43 1VHZ APR 6.56566
44 5O0X FAD 6.87285
45 3QDV NDG 6.99301
46 3QDY CBS 6.99301
47 3QDW NDG 6.99301
48 4YRY NAD 7.24638
49 4YRY FAD 7.24638
50 4YHB FAD 7.32601
51 4WQM FAD 7.96178
52 4G6I RS3 8.09524
53 4LO6 SIA GAL 8.9172
54 5JCA FAD 8.9172
55 1EP2 FAD 9.1954
56 4ONT SIA GAL BGC 9.30233
57 1T9M FMN 9.34579
58 6FHQ DE5 10.3448
59 5KK4 44E 10.4167
60 4CQK PIO 10.6383
61 1QX4 FAD 10.828
62 3UEC ALA ARG TPO LYS 12.3288
63 3OZV FAD 12.4204
64 3OZV ECN 12.4204
65 6GEH FAD 14.4531
66 2QQC AG2 16.9811
67 2QQD AG2 16.9811
68 5YLY FAD 17.1233
69 4G1V FAD 17.1975
70 1N13 AG2 17.3077
71 1MT1 AG2 17.3077
72 2EIX FAD 19.1083
73 1KRH FAD 19.4268
74 1A8P FAD 19.7674
75 3A3B FMN 20.0637
76 3A3B RBF 20.0637
77 3CRZ NAP 21.0117
78 3CRZ FAD 21.0117
79 2PIA FMN 21.0191
80 2CND FAD 21.1111
81 5OGX FAD 22.293
82 4DQL NAP 28.0255
83 4DQL FAD 28.0255
84 3W2E FAD 28.4133
85 3W2E NAD 28.4133
86 4U9U FAD 28.6624
87 1F20 FAD 28.9809
88 1F20 NAP 28.9809
89 5GXU FAD 30.5732
90 1TLL FAD 32.4841
91 1TLL NAP 32.4841
92 2QTZ FAD 32.8025
93 2QTZ NAP 32.8025
94 3FJO FAD 35.6688
95 5FA6 FMN 35.6688
96 5FA6 FAD 35.6688
97 5FA6 NAP 35.6688
98 3QFS FAD 35.9873
99 3QFS NAP 35.9873
100 1DDG FAD 37.2611
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