-->
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 25 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 17 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 9 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: 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 : 3JQQ; Ligand: A2P; Similar sites found with APoc: 79
This union binding pocket(no: 1) in the query (biounit: 3jqq.bio2) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 4G6I RS3 1.26582
2 5VKM GAL SIA 2.21519
3 2NZ5 226 2.53165
4 4CP8 MLI 2.53165
5 1RJW ETF 2.53165
6 3CB0 FMN 2.89017
7 2Y7P SAL 3.21101
8 4K55 H6P 3.22581
9 4YRY NAD 3.26087
10 4YRY FAD 3.26087
11 1OYY AGS 3.48101
12 4WCX MET 3.48101
13 4XPQ FUL 3.48101
14 1VHZ APR 3.53535
15 4MOB ADP 3.79747
16 5FBK TCR 3.79747
17 1KZL CRM 3.84615
18 1T9M FMN 4.20561
19 4F07 FAD 4.21053
20 4ONT SIA GAL BGC 4.43038
21 5JCA FAD 4.43038
22 1NE7 16G 4.49827
23 6GEH FAD 4.6875
24 1RZU ADP 4.74684
25 3A3B RBF 5.26316
26 3A3B FMN 5.26316
27 4YHB FAD 5.49451
28 5OFW 9TW 5.8296
29 5O3N 4LU 6.64557
30 3BF8 MLA 6.66667
31 5N53 8NB 6.66667
32 3IWD M2T 7.35294
33 1EP2 FAD 7.66284
34 2OG2 MLI 7.91139
35 5D63 FUC GAL GLA 8.19113
36 3I7V B4P 8.20895
37 3B9Q MLI 8.27815
38 5O0X FAD 8.93471
39 3UEC ALA ARG TPO LYS 9.58904
40 4K6B GLU 10.1266
41 5OGX FAD 10.443
42 2QQC AG2 11.3208
43 1N13 AG2 11.5385
44 1PVC ILE SER GLU VAL 11.7647
45 5CIC 51R 12.037
46 3OZV FAD 13.6076
47 3OZV ECN 13.6076
48 2GOO NDG 15.6863
49 4G1V FAD 17.7215
50 1M26 GAL A2G 18.0451
51 4WQM FAD 18.6709
52 1A8P FAD 20.155
53 2EIX FAD 20.1646
54 3CRZ NAP 20.2335
55 3CRZ FAD 20.2335
56 1KRH FAD 20.5696
57 2PIA FMN 20.5696
58 5YLY FAD 22.2603
59 2QTZ NAP 22.4684
60 2QTZ FAD 22.4684
61 3QFS FAD 24.6835
62 3QFS NAP 24.6835
63 3FJO FAD 25
64 5FA6 FAD 25
65 5FA6 NAP 25
66 5FA6 FMN 25
67 4DQL FAD 25.3165
68 4DQL NAP 25.3165
69 4U9U FAD 25.9786
70 3W2E FAD 26.1993
71 3W2E NAD 26.1993
72 5GXU FAD 26.2658
73 1QX4 FAD 26.6423
74 2CND FAD 27.4074
75 1TLL FAD 31.0127
76 1F20 NAP 31.0127
77 1TLL NAP 31.0127
78 1F20 FAD 31.0127
79 1DDG FAD 31.962
Pocket No.: 2; Query (leader) PDB : 3JQQ; Ligand: FAD; Similar sites found with APoc: 74
This union binding pocket(no: 2) in the query (biounit: 3jqq.bio2) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 4G6I RS3 1.26582
2 1DKU AP2 1.58228
3 2NZ5 226 2.53165
4 1RJW ETF 2.53165
5 3CB0 FMN 2.89017
6 4YRY FAD 3.26087
7 3BY9 SIN 3.48101
8 4WCX MET 3.48101
9 1OYY AGS 3.48101
10 4XPQ FUL 3.48101
11 1VHZ APR 3.53535
12 1KZL CRM 3.84615
13 1T9M FMN 4.20561
14 4F07 FAD 4.21053
15 1JH7 UVC 4.2328
16 5JCA FAD 4.43038
17 5WS9 ATP 4.43038
18 1NE7 16G 4.49827
19 6GEH FAD 4.6875
20 2PNZ 5GP 4.81928
21 4HMX FMN 5.11628
22 3A3B RBF 5.26316
23 3A3B FMN 5.26316
24 5LX6 78P 5.37975
25 4YHB FAD 5.49451
26 5XQL C2E 5.84192
27 3QYY C2E 5.98802
28 1ZLQ EDT 6.32911
29 5O3N 4LU 6.64557
30 3HYK A3P 7.37705
31 1EP2 FAD 7.66284
32 2OG2 MLI 7.91139
33 2CCV A2G 7.92079
34 3I7V B4P 8.20895
35 3B9Q MLI 8.27815
36 5O0X FAD 8.93471
37 1FLM FMN 9.01639
38 3UEC ALA ARG TPO LYS 9.58904
39 4K6B GLU 10.1266
40 5E6O TRP GLU GLU LEU 10.1695
41 5OGX FAD 10.443
42 2QQC AG2 11.3208
43 1N13 AG2 11.5385
44 1PVC ILE SER GLU VAL 11.7647
45 3OZV FAD 13.6076
46 3OZV ECN 13.6076
47 4G1V FAD 17.7215
48 4WQM FAD 18.6709
49 1A8P FAD 20.155
50 2EIX FAD 20.1646
51 3CRZ FAD 20.2335
52 3CRZ NAP 20.2335
53 1KRH FAD 20.5696
54 2PIA FMN 20.5696
55 5YLY FAD 22.2603
56 2QTZ NAP 22.4684
57 2QTZ FAD 22.4684
58 3QFS FAD 24.6835
59 3QFS NAP 24.6835
60 3FJO FAD 25
61 5FA6 FMN 25
62 5FA6 FAD 25
63 5FA6 NAP 25
64 4DQL FAD 25.3165
65 4DQL NAP 25.3165
66 4U9U FAD 25.9786
67 3W2E FAD 26.1993
68 3W2E NAD 26.1993
69 5GXU FAD 26.2658
70 1QX4 FAD 26.6423
71 2CND FAD 27.4074
72 1TLL FAD 31.0127
73 1F20 FAD 31.0127
74 1DDG FAD 31.962
Pocket No.: 3; Query (leader) PDB : 3JQQ; Ligand: A2P; Similar sites found with APoc: 50
This union binding pocket(no: 3) in the query (biounit: 3jqq.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2Y88 2ER 1.22951
2 1N5D NDP 1.38889
3 4I4B NAD 1.58228
4 5XWC 2IT 1.89873
5 5XWC NAP 1.89873
6 5XWC 8GL 1.89873
7 4REP FAD 2.21519
8 5L13 6ZE 2.32108
9 2OBF F83 2.42215
10 2OBF SAH 2.42215
11 1Y1P NMN AMP PO4 2.53165
12 4H6Q TFB 2.5641
13 4Q0P 0MK 2.69231
14 5BSH PRO 2.88809
15 2IMP NAI 3.16456
16 5FOI MY8 3.16456
17 3AY6 BGC 3.34572
18 3AY6 NAI 3.34572
19 5XVG 8FX 3.41297
20 1UWK NAD 3.48101
21 1UWK URO 3.48101
22 2WLG SOP 3.72093
23 4O1M NAD 3.80952
24 1W4R TTP 4.10256
25 3RHJ NAP 4.11392
26 3B4Y F42 4.11392
27 5X8G S0N 4.43038
28 5WS9 ATP 4.43038
29 2DTX BMA 4.74684
30 5T2U NAP 4.83871
31 5O4F 8VE 5.81395
32 1TIW TFB 6.01266
33 1TIW FAD 6.01266
34 1WZ1 DNS 6.19469
35 6B5G NAD 6.96203
36 6B5G CQY 6.96203
37 4RGQ 13P 6.96203
38 4RGQ 1GP 6.96203
39 5WKC FAD 7.27848
40 3VKC FPQ 7.34266
41 5DOZ NDP 8.5443
42 1YBH FAD 9.17722
43 1JCM 137 9.26641
44 1FEC FAD 9.49367
45 2GZ3 NAP 9.49367
46 2TPS TPS 10.1266
47 4ZRN NAD 11.5385
48 1NNU NAD 11.6667
49 1NNU TCT 11.6667
50 1TLL FMN 31.0127
Pocket No.: 4; Query (leader) PDB : 3JQQ; Ligand: FAD; Similar sites found with APoc: 17
This union binding pocket(no: 4) in the query (biounit: 3jqq.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3E4O SIN 1.96721
2 5VKM GAL SIA 2.21519
3 3WH2 FLC 2.72109
4 4K55 H6P 3.22581
5 4YRY NAD 3.26087
6 2J5V PCA 3.48101
7 4ONT SIA GAL BGC 4.43038
8 4DFU QUE 4.43038
9 1USF NAP 5.05618
10 4NRT 2NG 5.37975
11 3ITJ CIT 6.32911
12 1JOC ITP 6.4
13 3VSV XYP 6.64557
14 5D63 FUC GAL GLA 8.19113
15 2AWN ADP 8.86076
16 3QDV NDG 9.09091
17 3LMS GLY 14.8649
Pocket No.: 5; Query (leader) PDB : 3JQQ; Ligand: A2P; Similar sites found with APoc: 18
This union binding pocket(no: 5) in the query (biounit: 3jqq.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3H8V ATP 2.73973
2 5KF6 TFB 3.16456
3 5KF6 FAD 3.16456
4 3HAZ NAD 3.16456
5 4H8N NDP 3.22581
6 1MXH NAP 3.26087
7 1MXH DHF 3.26087
8 2FLI DX5 3.63636
9 4D57 ARG AMP 3.79747
10 5V59 8X1 4.21053
11 3NZ1 3NY 5.37975
12 1I00 UMP 5.51724
13 1U1I NAD 5.6962
14 2IHK CSF 6.96203
15 3EFV NAD 7.59494
16 1QH9 LAC 8.62069
17 3O5N BR0 8.92857
18 6FGL UO1 17.1429
Pocket No.: 6; Query (leader) PDB : 3JQQ; Ligand: FAD; Similar sites found with APoc: 7
This union binding pocket(no: 6) in the query (biounit: 3jqq.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 1OIK AKG 4.31894
2 4EOY ASN ASP TRP LEU LEU PRO SER TYR 4.6875
3 4RHS SIA SIA GAL 4.91803
4 3VPD BUA 7.27848
5 4DS0 A2G GAL NAG FUC 7.36196
6 6EK3 OUL 9.95475
7 1B4P GPS 10.5991
Pocket No.: 7; Query (leader) PDB : 3JQQ; Ligand: A2P; Similar sites found with APoc: 8
This union binding pocket(no: 7) in the query (biounit: 3jqq.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 1DKU AP2 1.58228
2 1OIK AKG 4.31894
3 4RHS SIA SIA GAL 4.91803
4 6EGU 43Y 8.86076
5 3QDV NDG 9.09091
6 6EK3 OUL 9.95475
7 5E6O TRP GLU GLU LEU 10.1695
8 6HL7 CP 13.2911
Pocket No.: 8; Query (leader) PDB : 3JQQ; Ligand: FAD; Similar sites found with APoc: 3
This union binding pocket(no: 8) in the query (biounit: 3jqq.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 4TVD BGC 2.53165
2 3PPQ CHT 5.14469
3 1WK9 TSB 8.90411
Pocket No.: 9; Query (leader) PDB : 3JQQ; Ligand: A2P; Similar sites found with APoc: 14
This union binding pocket(no: 9) in the query (biounit: 3jqq.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2RH4 EMO 1.44404
2 4NMC 2OP 2.8481
3 4NMC FAD 2.8481
4 4I3V NAD 3.16456
5 5NXX 3Q7 3.35821
6 4CSV STI 3.63636
7 4I5I NAD 3.79747
8 4LY9 S6P 6.01266
9 1E8G FCR 6.32911
10 6G9I CXX 7.14286
11 2QRD ADP 7.2165
12 4ZUL UN1 7.91139
13 5VN0 FAD 8.86076
14 5ZYN FAD 9.17722
Pocket No.: 10; Query (leader) PDB : 3JQQ; Ligand: FAD; Similar sites found with APoc: 13
This union binding pocket(no: 10) in the query (biounit: 3jqq.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2WBV SIA 3.1746
2 3ZOD HQE 4.71204
3 3ZOD FMN 4.71204
4 1RZU ADP 4.74684
5 1USF FMN 5.05618
6 2R5N R5P 6.64557
7 2R5N TPP 6.64557
8 2R5N RP5 6.64557
9 2D2F ADP 7.2
10 2Q6B HR2 7.27848
11 4Y8D 49J 8.57143
12 3K87 FAD 11.3514
13 4A6F SEP 13.3333
Pocket No.: 11; Query (leader) PDB : 3JQQ; Ligand: FAD; Similar sites found with APoc: 9
This union binding pocket(no: 11) in the query (biounit: 3jqq.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2V2G BEZ 1.28755
2 2AG4 OLA 1.89873
3 2AG4 LP3 1.89873
4 5NM7 GLY 3.00752
5 2ASF CIT 4.37956
6 1Q19 SSC 7.27848
7 3G5N PB2 11.7089
8 3BQF SSM 21.6495
9 1RL4 BL5 23.9362
Pocket No.: 12; Query (leader) PDB : 3JQQ; Ligand: A2P; Similar sites found with APoc: 19
This union binding pocket(no: 12) in the query (biounit: 3jqq.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2WSB NAD 1.5748
2 4XV1 904 1.71233
3 1JQ3 AAT 2.36486
4 3RG9 WRA 2.5
5 5JAQ NAI 2.53165
6 5HCF BGC 2.95203
7 4Y9J FAD 3.16456
8 6ER9 NAP 3.48101
9 6ER9 FAD 3.48101
10 2IXE ATP 4.05904
11 4W6Z 8ID 4.74684
12 4JYD SAH 6.01266
13 5X20 NAD 6.41026
14 5UKL SIX 8.06452
15 2AWN ADP 8.86076
16 3P3G UKW 9
17 3P3G 3P3 9
18 4C0R GDS 10.8871
19 5ODQ FAD 11.3402
APoc FAQ
Feedback