Receptor
PDB id Resolution Class Description Source Keywords
3JQQ 2.2 Å EC: 1.18.1.2 CRYSTAL STRUCTURE OF THE H286K MUTANT OF FERREDOXIN-NADP+ REDUCTASE FROM PLASMODIUM FALCIPARUM IN COMPLEX WITH 2'P- A MP PLASMODIUM FALCIPARUM FERREDOXIN-NADP+ REDUCTASE FAD OXIDOREDUCTASE
Ref.: PLASMODIUM FALCIPARUM FERREDOXIN-NADP+ REDUCTASE HIS286 PLAYS A DUAL ROLE IN NADP(H) BINDING AND CATALYSIS BIOCHEMISTRY V. 48 9525 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A2P A:416;
B:416;
C:416;
D:416;
E:416;
F:416;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
Ki = 2.9 uM
427.201 C10 H15 N5 O10 P2 c1nc(...
FAD A:415;
B:415;
C:415;
D:415;
E:415;
F:415;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3JQQ 2.2 Å EC: 1.18.1.2 CRYSTAL STRUCTURE OF THE H286K MUTANT OF FERREDOXIN-NADP+ REDUCTASE FROM PLASMODIUM FALCIPARUM IN COMPLEX WITH 2'P- A MP PLASMODIUM FALCIPARUM FERREDOXIN-NADP+ REDUCTASE FAD OXIDOREDUCTASE
Ref.: PLASMODIUM FALCIPARUM FERREDOXIN-NADP+ REDUCTASE HIS286 PLAYS A DUAL ROLE IN NADP(H) BINDING AND CATALYSIS BIOCHEMISTRY V. 48 9525 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 2OK8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3JQQ Ki = 2.9 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3JQR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2OK8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3JQQ Ki = 2.9 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3JQR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2OK8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3JQQ Ki = 2.9 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3JQR - 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 : 3JQQ; Ligand: FAD; Similar sites found: 54
This union binding pocket(no: 1) in the query (biounit: 3jqq.bio2) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DKU AP2 0.01283 0.43947 1.58228
2 1EJE FMN 0.005189 0.43207 1.58228
3 2NZ5 226 0.005565 0.427 2.53165
4 3BY9 SIN 0.01401 0.44011 3.48101
5 4WCX MET 0.01734 0.43023 3.48101
6 1OYY AGS 0.01741 0.42455 3.48101
7 1VHZ APR 0.01944 0.43508 3.53535
8 1KZL CRM 0.002525 0.46823 3.84615
9 1T9M FMN 0.01992 0.40769 4.20561
10 4F07 FAD 0.00992 0.41575 4.21053
11 2PNZ 5GP 0.04458 0.40898 4.81928
12 3A3B RBF 0.002631 0.47239 5.26316
13 3A3B FMN 0.002747 0.47139 5.26316
14 5LX6 78P 0.04934 0.40793 5.37975
15 4YHB FAD 0.0004386 0.45854 5.49451
16 5XQL C2E 0.01101 0.40326 5.84192
17 1ZLQ EDT 0.04894 0.40937 6.32911
18 1EP2 FAD 0.0007641 0.45533 7.66284
19 2OG2 MLI 0.04193 0.42236 7.91139
20 2CCV A2G 0.03909 0.4129 7.92079
21 3I7V B4P 0.01813 0.45813 8.20895
22 3B9Q MLI 0.008679 0.45664 8.27815
23 5O0X FAD 0.000001622 0.63387 8.93471
24 1FLM FMN 0.02023 0.40436 9.01639
25 3UEC ALA ARG TPO LYS 0.04312 0.4172 9.58904
26 4K6B GLU 0.02695 0.4225 10.1266
27 5E6O TRP GLU GLU LEU 0.0155 0.43132 10.1695
28 1N13 AG2 0.03723 0.41639 11.5385
29 3OZV FAD 0.00001118 0.48141 13.6076
30 3OZV ECN 0.0000433 0.46559 13.6076
31 4G1V FAD 0.000001281 0.46593 17.7215
32 4WQM FAD 0.00000182 0.5688 18.6709
33 1A8P FAD 0.0000004256 0.61555 20.155
34 2EIX FAD 0.0001532 0.47027 20.1646
35 3CRZ FAD 0.0000005638 0.6033 20.2335
36 3CRZ NAP 0.00005286 0.46171 20.2335
37 1KRH FAD 0.0000002043 0.63012 20.5696
38 2PIA FMN 0.000003297 0.42071 20.5696
39 2QTZ FAD 0.0000003081 0.63673 22.4684
40 2QTZ NAP 0.00007215 0.45988 22.4684
41 3QFS FAD 0.00009493 0.44702 24.6835
42 3QFS NAP 0.00009493 0.44702 24.6835
43 3FJO FAD 0.0000008525 0.42248 25
44 4DQL FAD 0.0000009062 0.57617 25.3165
45 4DQL NAP 0.00007932 0.44972 25.3165
46 4U9U FAD 0.0000002644 0.61805 25.9786
47 3W2E NAD 0.0002873 0.42388 26.1993
48 3W2E FAD 0.0002873 0.42388 26.1993
49 5GXU FAD 0.0000009375 0.55964 26.2658
50 1QX4 FAD 0.001007 0.42089 26.6423
51 2CND FAD 0.000009711 0.55344 27.4074
52 1F20 FAD 0.00000009237 0.64588 31.0127
53 1TLL FAD 0.00000003813 0.46981 31.0127
54 1DDG FAD 0.0000003356 0.61341 31.962
Pocket No.: 2; Query (leader) PDB : 3JQQ; Ligand: A2P; Similar sites found: 60
This union binding pocket(no: 2) in the query (biounit: 3jqq.bio2) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1EJE FMN 0.004376 0.43002 1.58228
2 2NZ5 226 0.005793 0.41938 2.53165
3 4CP8 MLI 0.03259 0.41579 2.53165
4 4K55 H6P 0.0466 0.40647 3.22581
5 4YRY NAD 0.00003032 0.42491 3.26087
6 1OYY AGS 0.01775 0.41907 3.48101
7 4WCX MET 0.02468 0.41065 3.48101
8 1VHZ APR 0.02557 0.42232 3.53535
9 4MOB ADP 0.01662 0.43104 3.79747
10 1KZL CRM 0.002322 0.4644 3.84615
11 1T9M FMN 0.02105 0.40156 4.20561
12 4F07 FAD 0.01002 0.41032 4.21053
13 4ONT SIA GAL BGC 0.03793 0.40972 4.43038
14 1RZU ADP 0.007925 0.43286 4.74684
15 3A3B RBF 0.002243 0.47034 5.26316
16 3A3B FMN 0.002502 0.46785 5.26316
17 4YHB FAD 0.0004661 0.45117 5.49451
18 3BF8 MLA 0.03058 0.41579 6.66667
19 3IWD M2T 0.04502 0.40239 7.35294
20 1EP2 FAD 0.000739 0.44986 7.66284
21 2OG2 MLI 0.0439 0.41915 7.91139
22 3I7V B4P 0.01737 0.44711 8.20895
23 3B9Q MLI 0.006408 0.46448 8.27815
24 5O0X FAD 0.000001124 0.63387 8.93471
25 3UEC ALA ARG TPO LYS 0.0359 0.4172 9.58904
26 4K6B GLU 0.0148 0.43172 10.1266
27 2QQC AG2 0.04035 0.40977 11.3208
28 1N13 AG2 0.03417 0.41399 11.5385
29 3OZV FAD 0.00002622 0.48426 13.6076
30 3OZV ECN 0.00006356 0.47444 13.6076
31 4G1V FAD 0.0000009829 0.49616 17.7215
32 1M26 GAL A2G 0.03841 0.41849 18.0451
33 4WQM FAD 0.000001451 0.56486 18.6709
34 1A8P FAD 0.000000274 0.61555 20.155
35 2EIX FAD 0.0002823 0.45312 20.1646
36 3CRZ FAD 0.0000003527 0.60378 20.2335
37 3CRZ NAP 0.000000003959 0.59353 20.2335
38 1KRH FAD 0.0000001352 0.62934 20.5696
39 2PIA FMN 0.000002847 0.44665 20.5696
40 2QTZ FAD 0.0000002008 0.63673 22.4684
41 2QTZ NAP 0.0000001154 0.55064 22.4684
42 3QFS NAP 0.0000001524 0.52955 24.6835
43 3QFS FAD 0.0000001524 0.52955 24.6835
44 3FJO FAD 0.0000006302 0.45021 25
45 5FA6 FMN 0.0000006997 0.41012 25
46 5FA6 FAD 0.0000006997 0.41012 25
47 5FA6 NAP 0.0000007373 0.40747 25
48 4DQL FAD 0.0000008766 0.56843 25.3165
49 4DQL NAP 0.00000001661 0.55968 25.3165
50 4U9U FAD 0.0000001747 0.61723 25.9786
51 3W2E FAD 0.0000002075 0.51206 26.1993
52 3W2E NAD 0.0000002075 0.51206 26.1993
53 5GXU FAD 0.000003061 0.53096 26.2658
54 1QX4 FAD 0.000002613 0.50792 26.6423
55 2CND FAD 0.000006596 0.55344 27.4074
56 1F20 FAD 0.00000005794 0.64588 31.0127
57 1F20 NAP 0.00003521 0.54385 31.0127
58 1TLL FAD 0.00000002494 0.50371 31.0127
59 1TLL NAP 0.00003573 0.43602 31.0127
60 1DDG FAD 0.0000003986 0.60144 31.962
Pocket No.: 3; Query (leader) PDB : 3JQQ; Ligand: A2P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3jqq.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3JQQ; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3jqq.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3JQQ; Ligand: A2P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3jqq.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3JQQ; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3jqq.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3JQQ; Ligand: A2P; Similar sites found: 9
This union binding pocket(no: 7) in the query (biounit: 3jqq.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DKU AP2 0.009124 0.44119 1.58228
2 5FBK TCR 0.03734 0.40777 3.79747
3 1OIK AKG 0.04976 0.40222 4.31894
4 4RHS SIA SIA GAL 0.04012 0.40701 4.91803
5 3NZ1 3NY 0.02184 0.42492 5.37975
6 1WZ1 DNS 0.01112 0.43897 6.19469
7 4ME6 ADP 0.04944 0.40199 6.96203
8 3QDV NDG 0.03561 0.40947 9.09091
9 5E6O TRP GLU GLU LEU 0.01105 0.43169 10.1695
Pocket No.: 8; Query (leader) PDB : 3JQQ; Ligand: FAD; Similar sites found: 7
This union binding pocket(no: 8) in the query (biounit: 3jqq.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ONT SIA GAL BGC 0.04424 0.41002 4.43038
2 4DFU QUE 0.04449 0.40575 4.43038
3 4EOY ASN ASP TRP LEU LEU PRO SER TYR 0.04284 0.40307 4.6875
4 4RHS SIA SIA GAL 0.04966 0.40701 4.91803
5 4HMX FMN 0.03612 0.4003 5.11628
6 3QYY C2E 0.03183 0.40306 5.98802
7 3QDV NDG 0.04061 0.41125 9.09091
Pocket No.: 9; Query (leader) PDB : 3JQQ; Ligand: A2P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3jqq.bio3) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3JQQ; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3jqq.bio3) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3JQQ; Ligand: FAD; Similar sites found: 5
This union binding pocket(no: 11) in the query (biounit: 3jqq.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2V2G BEZ 0.02611 0.40319 1.28755
2 4ME6 ADP 0.02728 0.40146 6.96203
3 2QQC AG2 0.01814 0.41161 11.3208
4 3BQF SSM 0.02437 0.40287 21.6495
5 1RL4 BL5 0.03103 0.40137 23.9362
Pocket No.: 12; Query (leader) PDB : 3JQQ; Ligand: A2P; Similar sites found: 6
This union binding pocket(no: 12) in the query (biounit: 3jqq.bio3) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5HCF BGC 0.01213 0.40319 2.95203
2 4W6Z 8ID 0.04406 0.40056 4.74684
3 5UKL SIX 0.02735 0.40118 8.06452
4 2AWN ADP 0.02435 0.4009 8.86076
5 1FEC FAD 0.03845 0.41223 9.49367
6 4C0R GDS 0.02319 0.4006 10.8871
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