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Receptor
PDB id Resolution Class Description Source Keywords
3ZNN 1.9 Å EC: 1.4.3.3 IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN HOMO SAPIENS OXIDOREDUCTASE FLAVOOXIDASE NEUROTRANSMISSION
Ref.: STRUCTURAL, KINETIC, AND PHARMACODYNAMIC MECHANISMS AMINO ACID OXIDASE INHIBITION BY SMALL MOLECULES. J.MED.CHEM. V. 56 3710 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1346;
B:1344;
A:1341;
A:1347;
A:1342;
A:1343;
B:1342;
B:1343;
A:1345;
B:1341;
A:1344;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
FAD B:350;
A:350;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
4WL A:360;
B:360;
Valid;
Valid;
none;
none;
Ki = 3.5 nM
167.185 C7 H5 N O2 S c1csc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZNN 1.9 Å EC: 1.4.3.3 IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN HOMO SAPIENS OXIDOREDUCTASE FLAVOOXIDASE NEUROTRANSMISSION
Ref.: STRUCTURAL, KINETIC, AND PHARMACODYNAMIC MECHANISMS AMINO ACID OXIDASE INHIBITION BY SMALL MOLECULES. J.MED.CHEM. V. 56 3710 2013
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3ZNO Ki = 7.2 nM SE5 C13 H12 Cl N O2 c1cc(ccc1C....
2 3ZNP Ki = 13 nM SE2 C9 H6 O3 c1ccc2c(c1....
3 3G3E ic50 = 4 nM G3E C9 H7 N O2 c1ccc2c(c1....
4 4QFC Ki = 9.6 nM 31T C21 H16 N2 O5 c1ccc(cc1)....
5 3CUK ic50 = 141 nM 4P5 C7 H5 N O3 c1coc2c1[n....
6 2DU8 Ki = 7 uM BEZ C7 H6 O2 c1ccc(cc1)....
7 3W4I ic50 = 1150 nM 8LG C5 H5 N O2 c1cc(c(nc1....
8 3ZNN Ki = 3.5 nM 4WL C7 H5 N O2 S c1csc2c1[n....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VE9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1EVI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 1AN9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3WGT - QSC C8 H11 N C[C@H](c1c....
5 3ZNO Ki = 7.2 nM SE5 C13 H12 Cl N O2 c1cc(ccc1C....
6 3ZNP Ki = 13 nM SE2 C9 H6 O3 c1ccc2c(c1....
7 3G3E ic50 = 4 nM G3E C9 H7 N O2 c1ccc2c(c1....
8 4QFC Ki = 9.6 nM 31T C21 H16 N2 O5 c1ccc(cc1)....
9 3CUK ic50 = 141 nM 4P5 C7 H5 N O3 c1coc2c1[n....
10 2DU8 Ki = 7 uM BEZ C7 H6 O2 c1ccc(cc1)....
11 3W4I ic50 = 1150 nM 8LG C5 H5 N O2 c1cc(c(nc1....
12 3ZNN Ki = 3.5 nM 4WL C7 H5 N O2 S c1csc2c1[n....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VE9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1EVI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 1AN9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3WGT - QSC C8 H11 N C[C@H](c1c....
5 3ZNO Ki = 7.2 nM SE5 C13 H12 Cl N O2 c1cc(ccc1C....
6 3ZNP Ki = 13 nM SE2 C9 H6 O3 c1ccc2c(c1....
7 3G3E ic50 = 4 nM G3E C9 H7 N O2 c1ccc2c(c1....
8 4QFC Ki = 9.6 nM 31T C21 H16 N2 O5 c1ccc(cc1)....
9 3CUK ic50 = 141 nM 4P5 C7 H5 N O3 c1coc2c1[n....
10 2DU8 Ki = 7 uM BEZ C7 H6 O2 c1ccc(cc1)....
11 3W4I ic50 = 1150 nM 8LG C5 H5 N O2 c1cc(c(nc1....
12 3ZNN Ki = 3.5 nM 4WL C7 H5 N O2 S c1csc2c1[n....
Polypharmacology
Similar Ligands
Ligand no: 1; 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
Ligand no: 2; Ligand: 4WL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 4WL 1 1
2 4ZA 0.425532 0.965517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZNN; Ligand: FAD; Similar sites found with APoc: 988
This union binding pocket(no: 1) in the query (biounit: 3znn.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
1 5FUB SAH 1.18694
2 5HS2 CTP 1.2931
3 1VI2 NAD 1.33333
4 1NPD NAD 1.38889
5 5OF1 SAL 1.42857
6 2JHP SAH 1.44092
7 3GFB NAD 1.44092
8 2JJQ SAH 1.44092
9 1YKF NAP 1.44092
10 6F5W KG1 1.44092
11 2EJU SAH 1.44092
12 3WLE NAD 1.46628
13 5G6U TRP 1.53257
14 1F06 NDP 1.5625
15 1F06 2NP 1.5625
16 4Y9D NAI 1.63934
17 3R7F CP 1.64474
18 3H8V ATP 1.71233
19 5OCM NAP 1.71821
20 3U31 NAD 1.72414
21 5OC1 FAD 1.72911
22 5BUK FAD 1.72911
23 3L9W AMP 1.72911
24 3L9W GSH 1.72911
25 1HKU NAD 1.72911
26 4J1Q NDP 1.72911
27 4NOS ITU 1.72911
28 3A06 NDP 1.72911
29 5DF1 NAP 1.72911
30 5DF1 58X 1.72911
31 5BJX UDP 1.72911
32 5BJX NAD 1.72911
33 1WPQ NAD 1.72911
34 3F8D FAD 1.85759
35 3AY6 NAI 1.85874
36 5BW4 SAM 1.87266
37 1EZ4 NAD 1.88679
38 4DDY DN6 1.90114
39 5GT9 NAP 1.90114
40 1HYH NAD 1.94175
41 5EZ7 FAD 2.01729
42 6GAR FAD 2.01729
43 1QO8 FAD 2.01729
44 3AB1 FAD 2.01729
45 4YKG FAD 2.01729
46 1COY FAD 2.01729
47 2J5V PCA 2.01729
48 4AT0 FAD 2.01729
49 5Z21 NAI 2.01729
50 6C4T NA7 2.01729
51 1COY AND 2.01729
52 3X0D SAH 2.01729
53 1GY8 NAD 2.01729
54 1Q19 SSC 2.01729
55 4HXY NDP 2.01729
56 1WVG APR 2.01729
57 1KYZ SAH 2.01729
58 4YKG NAD 2.01729
59 4YT4 FE9 2.01729
60 6C4M NAP 2.01729
61 5T63 ALA ALA ALA ALA 2.01729
62 3OND NAD 2.01729
63 3OND ADN 2.01729
64 5GM1 SAH 2.0202
65 1QAN SAH 2.04918
66 4WZ6 ATP 2.06897
67 1KPG SAH 2.09059
68 1L1E SAH 2.09059
69 1KPH SAH 2.09059
70 2GCG NDP 2.12121
71 5LOG SAH 2.14592
72 5KVA SAM 2.15827
73 3LKZ SFG 2.18069
74 1AE1 NAP 2.1978
75 1P77 ATR 2.20588
76 3FUU ADN 2.21402
77 6ECU SAH 2.21519
78 5W7K SAH 2.24359
79 5W7M SAH 2.24359
80 2Q0L NAP 2.2508
81 2Q0L FAD 2.2508
82 1FL2 FAD 2.25806
83 3RKR NAP 2.29008
84 5X68 FAD 2.30548
85 4CNK FAD 2.30548
86 1ZK7 FAD 2.30548
87 6F3M NAD 2.30548
88 1KJ8 GAR 2.30548
89 4KRI SAH 2.30548
90 1V8B NAD 2.30548
91 4XQC NAD 2.30548
92 4XQC 13D 2.30548
93 2I3G NAP 2.30548
94 3EF0 ALF 2.30548
95 1E5Q NDP 2.30548
96 4KIB SAH 2.30548
97 2EG5 SAH 2.30548
98 3LU1 NAD 2.30548
99 4JK3 NAD 2.3166
100 4J4H 1J1 2.3166
101 4J4H NAI 2.3166
102 5JE8 NAD 2.31788
103 5Z20 NAI 2.31884
104 3WCS MAN NAG 2.3622
105 3WCS MAN NAG GAL 2.3622
106 1J49 NAD 2.4024
107 4NTO 1PW 2.41546
108 6BQ6 TER 2.41692
109 1GAD NAD 2.42424
110 1B8U NAD 2.43161
111 5GZ6 NDP 2.45399
112 5GZ6 7C3 2.45399
113 3D3W NAP 2.45902
114 1PR9 NAP 2.45902
115 1EDO NAP 2.45902
116 4K6B GLU 2.48447
117 5VKT NAP 2.48619
118 5K4W NAI 2.49221
119 5K4W THR 2.49221
120 4YMH SAH 2.5
121 5GWT NAD 2.51799
122 5GWT SIN 2.51799
123 4JZ8 CIT 2.52366
124 2CBZ ATP 2.53165
125 2VVL FAD 2.59366
126 3CGB FAD 2.59366
127 3NT6 FAD 2.59366
128 3NTA FAD 2.59366
129 3LAD FAD 2.59366
130 3K7M FAD 2.59366
131 2VVM FAD 2.59366
132 6C4N NAP 2.59366
133 2DFV NAD 2.59366
134 5U8U FAD 2.59366
135 3LXD FAD 2.59366
136 1KEV NDP 2.59366
137 3PT9 SAH 2.59366
138 4W6Z 8ID 2.59366
139 5Y77 FAD 2.59366
140 4DPL NAP 2.59366
141 1MJT ITU 2.59366
142 1LC3 NAD 2.59366
143 4IWN GEK 2.62009
144 3QJ4 FAD 2.63158
145 1OUW MLT 2.63158
146 5L4L NAP 2.63158
147 4GLL NAD 2.67062
148 3AXB PRO 2.67857
149 3AXB FAD 2.67857
150 5OJL TXP 2.68456
151 2PV7 NAD 2.68456
152 4Q9N NAI 2.68456
153 3DUW SAH 2.69058
154 4YAC NAI 2.6936
155 5NUF NAD 2.71084
156 5NUE NAD 2.71084
157 2P3V SRT 2.73438
158 1GEG NAD 2.73438
159 2AOT SAH 2.73973
160 1ZBQ NAD 2.75229
161 3JWH SAH 2.76498
162 2Q46 NAP 2.7668
163 3AYI HCI 2.77393
164 3AYI FAD 2.77393
165 4NBU NAI 2.8
166 6ECT SAM 2.80374
167 3GEG NAD 2.83401
168 1I9G SAM 2.85714
169 3KLJ FAD 2.85714
170 3ICT ADP 2.88184
171 3ICS ADP 2.88184
172 1ELI PYC 2.88184
173 3ICT FAD 2.88184
174 2QA1 FAD 2.88184
175 5NA1 FAD 2.88184
176 6F7L FAD 2.88184
177 2XVF FAD 2.88184
178 5J7X FAD 2.88184
179 3G5S FAD 2.88184
180 5YB7 ORN 2.88184
181 5YB7 FAD 2.88184
182 1EBF NAD 2.88184
183 1YS4 NAP 2.88184
184 3CIF NAD 2.88184
185 5GSN MMZ 2.88184
186 5MZI FAD 2.88184
187 5MZI FYK 2.88184
188 5GSN FAD 2.88184
189 5GSN NAP 2.88184
190 5H81 NAP 2.88184
191 1GZ4 ATP 2.88184
192 3ICS FAD 2.88184
193 3ICR FAD 2.88184
194 2CDC NAP 2.88184
195 5YF1 SFG 2.88184
196 1GQ2 NAP 2.88184
197 2CDC XYP 2.88184
198 2CDC XYS 2.88184
199 3VSE SAH 2.88184
200 2XVE FAD 2.88184
201 4N49 SAM 2.88184
202 5W0N 2KH 2.88184
203 3CIF G3H 2.88184
204 2PTZ PAH 2.88184
205 1YQD NAP 2.88184
206 2UZ1 TPP 2.88184
207 5YF1 8V0 2.88184
208 4RPL 3UC 2.88184
209 4RPL FAD 2.88184
210 3IAE D7K 2.88184
211 3O9Z NAD 2.88462
212 3O9Z AKG 2.88462
213 4M37 SAH 2.91545
214 4M38 SAH 2.91545
215 4NBT NAD 2.91667
216 5O4J 9KH 2.91971
217 5O4J PJL 2.91971
218 5O4J SAH 2.91971
219 1UI0 URA 2.92683
220 3MAG SAH 2.9316
221 2YX1 SFG 2.97619
222 3Q3C NAD 3.01003
223 3OZ2 FAD 3.02267
224 3MCT SAH 3.0303
225 3O7W SAM 3.06122
226 1U7T NAD 3.06513
227 1U7T TDT 3.06513
228 1P9P SAH 3.06513
229 2B9W FAD 3.06604
230 1FQK ALF 3.07692
231 1FQJ ALF 3.07692
232 3OID NDP 3.10078
233 6AIN FAD 3.11005
234 1FK8 NAD 3.11284
235 2PK3 A2R 3.11526
236 5J60 FAD 3.125
237 1DJN ADP 3.17003
238 1O94 ADP 3.17003
239 5G3U FDA 3.17003
240 2NVK NAP 3.17003
241 5ZBC FAD 3.17003
242 2DKH FAD 3.17003
243 2DKH 3HB 3.17003
244 1VQW FAD 3.17003
245 2GVC FAD 3.17003
246 2GV8 FAD 3.17003
247 5G3U ITW 3.17003
248 2CUL FAD 3.17003
249 5UAO FAD 3.17003
250 5BRT FAD 3.17003
251 2GMH FAD 3.17003
252 3GMB FAD 3.17003
253 2NVK FAD 3.17003
254 1NAA 6FA 3.17003
255 2ZXI FAD 3.17003
256 3K5I AIR 3.17003
257 5HXI FAD 3.17003
258 5BRT CH9 3.17003
259 2GV8 NDP 3.17003
260 5HXI 5HN 3.17003
261 4IV9 FAD 3.17003
262 1NAA ABL 3.17003
263 2RAB NAD 3.17003
264 3GDN HBX 3.17003
265 2C7G ODP 3.17003
266 2RAB FAD 3.17003
267 5BVA FAD 3.17003
268 2C7G FAD 3.17003
269 3CGD NAD 3.17003
270 3GDN FAD 3.17003
271 1SC6 NAD 3.17003
272 3FG2 FAD 3.17003
273 4XFR CIT 3.17003
274 3DAG FEG 3.17003
275 2X6T NAP 3.17003
276 5KOK SAH 3.17003
277 5HV7 RBL 3.17003
278 3CGD COA 3.17003
279 3CGD FAD 3.17003
280 4E13 NAD 3.18021
281 5ZI2 NAD 3.18841
282 5ZI2 ADP 3.18841
283 3HBN UDP 3.19149
284 6DNT NAD 3.19767
285 2AL2 PEP 3.21101
286 2AL2 2PG 3.21101
287 2EWM NAD 3.21285
288 1DLJ NAI 3.23383
289 5AYV NAP 3.23625
290 5AYV KPL 3.23625
291 2BGM NAJ 3.23741
292 5EES NAP 3.23887
293 3VYW SAM 3.24675
294 4MCC 21X 3.25203
295 4L8V NAP 3.2641
296 1C3V NDP 3.26531
297 1DIG NAP 3.26797
298 4GKV NAD 3.27381
299 2BD0 NAP 3.27869
300 3BAZ NAP 3.3033
301 1UAY ADN 3.30579
302 2DT5 NAD 3.31754
303 3GDH SAH 3.3195
304 1CER NAD 3.32326
305 5K0A FAD 3.33333
306 4RUS NAG 3.36134
307 4RUS NDG 3.36134
308 3RFV 15L 3.37079
309 3RFV NAI 3.37079
310 2Q7V FAD 3.38462
311 4BGB ADP 3.38462
312 5Y8L NAD 3.38983
313 5Y8L HUI 3.38983
314 5U5G NAP 3.38983
315 4YCA NDP 3.40136
316 4TQG NDP 3.40557
317 2EV9 NAP 3.42205
318 2EV9 SKM 3.42205
319 1F3L SAH 3.42679
320 4REP FAD 3.43434
321 1X87 NAD 3.44828
322 4CJX NAP 3.44828
323 2CDU ADP 3.45821
324 4X9M FAD 3.45821
325 5VN0 FAD 3.45821
326 3OJO NAD 3.45821
327 5TWB FAD 3.45821
328 2YVF NAD 3.45821
329 2YVF FAD 3.45821
330 5VN0 NAI 3.45821
331 5KOX FAD 3.45821
332 1YKJ FAD 3.45821
333 1YKJ PHB 3.45821
334 2CDU FAD 3.45821
335 4LWP SAH 3.45821
336 5J5Z FAD 3.45821
337 5KOX RFP 3.45821
338 3V1U NAD 3.45821
339 2IYF UDP 3.45821
340 3R4S SLB 3.45821
341 1VKO NAD 3.45821
342 1WP4 NDP 3.46021
343 2CVZ NDP 3.46021
344 6F5Z SAH 3.4632
345 1TPY SAH 3.48432
346 1LLU NAD 3.50877
347 1RJW ETF 3.53982
348 1EQ2 NAP 3.54839
349 1V59 NAD 3.55649
350 1V59 FAD 3.55649
351 5AOV NAP 3.57143
352 3SJ7 NDP 3.57143
353 2VYN NAD 3.59281
354 3F4F UMP 3.59281
355 4URF NAD 3.62903
356 1UZN NAP 3.64372
357 3NUG NAD 3.64372
358 1DRV A3D 3.663
359 5Z75 NAD 3.66972
360 5MIT FAD 3.66972
361 5MIT NAP 3.66972
362 2CVQ NDP 3.66972
363 3FPZ AHZ 3.68098
364 3QWI NAP 3.7037
365 3DCJ THH 3.72093
366 5FJN FAD 3.72807
367 5FJN BE2 3.72807
368 6GNC FAD 3.7415
369 1IY8 NAD 3.74532
370 3NYC IAR 3.7464
371 3NYC FAD 3.7464
372 2IVD FAD 3.7464
373 4USQ FAD 3.7464
374 5JWC FAD 3.7464
375 5TUK FAD 3.7464
376 4MO2 FDA 3.7464
377 1Y8Q ATP 3.7464
378 4MO2 FAD 3.7464
379 5EB4 FAD 3.7464
380 4RSL FAD 3.7464
381 6FHO FAD 3.7464
382 2Z3Y F2N 3.7464
383 4YNU LGC 3.7464
384 3NJ4 NAD 3.7464
385 2HQM FAD 3.7464
386 1X7D NAD 3.7464
387 4YNU FAD 3.7464
388 5DN9 NAD 3.7464
389 2Q1S NAI 3.7464
390 3TWO NDP 3.7464
391 2GKS ADP 3.7464
392 1UKG MMA 3.7464
393 1X7D ORN 3.7464
394 6C8R SAH 3.7464
395 4ZCW 4NG 3.7464
396 2NAD NAD 3.7464
397 1RKX NAD 3.7464
398 1JI0 ATP 3.75
399 4BJZ P3A 3.77358
400 4BJZ FAD 3.77358
401 3B1F NAD 3.7931
402 1LDN NAD 3.79747
403 2AG8 NAP 3.80228
404 1LUA NAP 3.83275
405 4QTU SAM 3.84615
406 4ZCC FAD 3.86905
407 4ZCC NAI 3.86905
408 2PWY SAH 3.87597
409 1Z82 NDP 3.8806
410 4OM8 NAD 3.8835
411 1UXG FUM 3.8835
412 1UXG NAD 3.8835
413 6CEP NAD 3.89222
414 6CEP OXM 3.89222
415 3LZW FAD 3.91566
416 3LZW NAP 3.91566
417 9LDT NAD 3.91566
418 9LDB NAD 3.91566
419 2O4C NAD 3.94737
420 1LDM NAD 3.95137
421 4ZTD ALA GLY ALA GLY ALA 3.95257
422 6BWL NAD 3.96341
423 3A25 SAM 3.98671
424 5N0J FAD 3.9886
425 1KYQ NAD 4.0146
426 3A4T SFG 4.0146
427 3X0V FAD 4.03458
428 4EMI FAD 4.03458
429 1Q1R FAD 4.03458
430 2YG3 FAD 4.03458
431 2JB2 FAD 4.03458
432 2JB2 PHE 4.03458
433 2WET FAD 4.03458
434 2IZ1 ATR 4.03458
435 1MUU NAD 4.03458
436 4EIP FAD 4.03458
437 3E1T FAD 4.03458
438 4EIP K2C 4.03458
439 4EMI NAD 4.03458
440 1GTE FAD 4.03458
441 4C4A SAH 4.03458
442 3GF4 FAD 4.03458
443 3GF4 UPG 4.03458
444 4DSG FAD 4.03458
445 4DSG UDP 4.03458
446 1F8F NAD 4.03458
447 1H2B NAJ 4.03458
448 4U8P FDA 4.03458
449 1ORR NAD 4.03458
450 4U8P UDP 4.03458
451 1SAY PYR 4.03458
452 4OUE IPT 4.03458
453 3HDY FDA 4.03458
454 3HDY FAD 4.03458
455 1YQZ FAD 4.03458
456 3HDY GDU 4.03458
457 4CYI ATP 4.03458
458 6GKV SAH 4.03458
459 2VDV SAM 4.06504
460 1A5Z NAD 4.07523
461 3OA2 NAD 4.08805
462 1HDR NAD 4.09836
463 1DL5 SAH 4.10095
464 1VJT NAD 4.14079
465 1H5Q NAP 4.15094
466 3KO8 NAD 4.16667
467 2VT3 ATP 4.18605
468 2DBZ NAP 4.19162
469 1E3W NAD 4.21456
470 1K4M CIT 4.22535
471 5ZI9 FLC 4.23077
472 1E6W NAD 4.23077
473 3TN7 NJP 4.28016
474 4NBW NAD 4.28016
475 1YJQ NAP 4.29043
476 3SSO SAH 4.29594
477 5U5N NAD 4.30108
478 1YY5 FAD 4.32277
479 1RSG FAD 4.32277
480 2RGJ FAD 4.32277
481 2IID FAD 4.32277
482 2IID PHE 4.32277
483 4J36 FAD 4.32277
484 1H82 FAD 4.32277
485 1MV8 NAD 4.32277
486 1V6A TRE 4.32277
487 4J36 1HR 4.32277
488 1H82 GZZ 4.32277
489 5UR0 NAD 4.32277
490 5FA5 MTA 4.32277
491 1ZQ9 SAM 4.32277
492 1E1M NAP 4.32277
493 1E1M FAD 4.32277
494 5EVY FAD 4.32277
495 4KVL PLM 4.32277
496 1Z45 NAD 4.32277
497 2WPF WPF 4.32277
498 2WPF FAD 4.32277
499 1E3I CXF 4.32277
500 5JCM FAD 4.32277
501 4RF7 ARG 4.32277
502 5JCM NAD 4.32277
503 5JCM ISD 4.32277
504 2A8X FAD 4.32277
505 3NTD FAD 4.32277
506 4GQB 0XU 4.32277
507 1KOL NAD 4.32277
508 3UCL FAD 4.32277
509 3UCL CYH 4.32277
510 4X1B MLI 4.32277
511 2GSD NAD 4.32277
512 3UCL NAP 4.32277
513 2OFW ADX 4.32692
514 2PNZ 5GP 4.33213
515 2B4R AES 4.34783
516 2B4R NAD 4.34783
517 3NGL NAP 4.34783
518 6A3J NAI 4.39024
519 6A3J SOE 4.39024
520 5A1T NAI 4.39883
521 5A1T OXM 4.39883
522 4MP8 NAD 4.42478
523 4MP8 MLI 4.42478
524 5TC4 NAD 4.43038
525 3ITJ CIT 4.43787
526 3ITJ FAD 4.43787
527 1VL0 NAI 4.45205
528 2JAH NDP 4.45344
529 2JAP NDP 4.45344
530 4KOA NDP 4.5045
531 6BII NAP 4.5045
532 4RDH AMP 4.51389
533 4RDI ATP 4.51389
534 4E5N NAD 4.54545
535 4NEC SAH 4.54545
536 2PZM UDP 4.54545
537 2PZM NAD 4.54545
538 1RP0 AHZ 4.57746
539 5EOW FAD 4.61095
540 5TS5 FAD 4.61095
541 5ZYN FAD 4.61095
542 4FWE FAD 4.61095
543 4OPC PGT 4.61095
544 4OPC FDA 4.61095
545 4C3Y FAD 4.61095
546 6FP4 FAD 4.61095
547 4C3Y ANB 4.61095
548 6H3O FAD 4.61095
549 3ABI NAD 4.61095
550 2IXB NAD 4.61095
551 6FP4 E1T 4.61095
552 3UOY FAD 4.61095
553 3UOY NAP 4.61095
554 4R5M NAP 4.61095
555 1I8T FAD 4.61095
556 2IXB A2G 4.61095
557 4MO4 ACP 4.61095
558 4OOE FOM 4.61095
559 4KRG SAH 4.61095
560 4PL8 ATP 4.61095
561 4OOE NDP 4.61095
562 6CI9 F3V 4.6332
563 2ZFU SAH 4.65116
564 2P0D I3P 4.65116
565 2A92 NAI 4.6729
566 3G2O SAM 4.68227
567 4YRY FAD 4.71014
568 4YRY NAD 4.71014
569 2FK8 SAM 4.71698
570 2NXE SAM 4.72441
571 4O0L NDP 4.72727
572 2BZG SAH 4.74138
573 5AHO TLA 4.7619
574 4ITH RCM 4.7619
575 4MDH NAD 4.79042
576 1NYT NAP 4.79705
577 5MDH NAD 4.8048
578 5ODQ FAD 4.811
579 3VPH NAD 4.83871
580 3VPH OXM 4.83871
581 3T7S SAM 4.85075
582 3P13 RIP 4.86111
583 4CM9 NAP 4.86111
584 4CLR NAP 4.86111
585 3BMN NAP 4.86111
586 3BMQ NAP 4.86111
587 5K6A NAP 4.86111
588 5JCJ NAP 4.86111
589 2GDZ NAD 4.86891
590 1SOW NAD 4.87805
591 1PJS NAD 4.89914
592 2Y6Q FAD 4.89914
593 1PL6 NAD 4.89914
594 2Y6Q I7T 4.89914
595 1BZL FAD 4.89914
596 3SQP FAD 4.89914
597 1PL6 572 4.89914
598 1FEC FAD 4.89914
599 6ER9 FAD 4.89914
600 4XYB NDP 4.89914
601 3DMH SAM 4.89914
602 6ER9 NAP 4.89914
603 2G50 ALA 4.89914
604 3C6K SPD 4.89914
605 1R37 NAD 4.89914
606 1BZL GCG 4.89914
607 3C6K MTA 4.89914
608 2YYY NAP 4.95627
609 3GCZ SAM 4.96454
610 1IA9 ANP 5
611 5L95 AMP 5.01792
612 3BXO SAM 5.02092
613 2XVM SAH 5.02513
614 4XDY NAI 5.02959
615 3RGG AIR 5.03145
616 3WV8 ATP 5.04587
617 2DWU DGL 5.07246
618 5MGZ SAH 5.08475
619 4PLG NAI 5.08982
620 4PLG OXM 5.08982
621 1P0F NAP 5.09383
622 2Q1W NAD 5.1051
623 2VAR AMP 5.11182
624 5X20 NAD 5.12821
625 3VC1 SAH 5.12821
626 1J5P NAD 5.13834
627 2R4J FAD 5.18732
628 2R4J 13P 5.18732
629 1KNR FAD 5.18732
630 5NMX FAD 5.18732
631 3IHG FAD 5.18732
632 3CTY FAD 5.18732
633 4RQU NAD 5.18732
634 2AQJ FAD 5.18732
635 1BXK NAD 5.18732
636 5NMX NAP 5.18732
637 2AQJ TRP 5.18732
638 5ERG SAM 5.18732
639 3CBG SAH 5.18732
640 4B63 NAP 5.18732
641 4B63 ORN 5.18732
642 4B63 FAD 5.18732
643 2FR1 NDP 5.18732
644 1QMG APX 5.18732
645 5FI3 NAP 5.18732
646 1GR0 NAD 5.18732
647 5A96 GTP 5.22088
648 5ULP KB1 5.22388
649 2WD7 NAP 5.22388
650 4JJF FE9 5.23256
651 1OMO NAD 5.2795
652 4IF4 BEF 5.28846
653 1ZH8 NAP 5.29412
654 5N6C NAD 5.33333
655 4XB2 NDP 5.37313
656 4XB2 HSE 5.37313
657 2IMI GSH 5.42986
658 6GAS FAD 5.43807
659 1NVM NAD 5.44872
660 1E6E FAD 5.46875
661 5WGR FAD 5.4755
662 6F97 FAD 5.4755
663 3H5N ATP 5.4755
664 6EL3 NAP 5.4755
665 5KVS NAP 5.4755
666 5MLR GRQ 5.4755
667 5MLR NAP 5.4755
668 3ULK NDP 5.4755
669 3RK1 ATP 5.48523
670 5WP5 SAH 5.49898
671 1XTP SAI 5.51181
672 6GNA FAD 5.55556
673 5MVR ADP 5.55556
674 2CFC NAD 5.6
675 1YAG ATP 5.6
676 2PT9 S4M 5.60748
677 2PT9 2MH 5.60748
678 1CF2 NAP 5.63798
679 1VM6 NAD 5.70175
680 1HDG NAD 5.72289
681 4UP3 FAD 5.73248
682 4UP3 NDP 5.73248
683 3SJU NDP 5.73477
684 2HYQ MAN MAN 5.7377
685 1X14 NAD 5.76369
686 5I39 FAD 5.76369
687 4NTD FAD 5.76369
688 2VHW NAI 5.76369
689 3HIY UTP 5.76369
690 1SQF SAM 5.76369
691 1P31 EPU 5.76369
692 2WA2 SAM 5.7971
693 3WBF NAP 5.90164
694 3WBF API 5.90164
695 3QV1 NAD 5.93472
696 3V1Y NAD 5.93472
697 1RM4 NDP 5.93472
698 1BO4 COA 5.95238
699 1FWV SGA MAG FUC 5.97015
700 1LNM DTX 5.97826
701 4Z0H NAD 5.98802
702 3MMH SME 5.98802
703 4POO SAM 6
704 5JCA FAD 6.05187
705 4M52 FAD 6.05187
706 1GET FAD 6.05187
707 5JCA NDP 6.05187
708 1GPE FAD 6.05187
709 1GET NAP 6.05187
710 4M52 M52 6.05187
711 3ETG NDP 6.05187
712 3ETG GLU 6.05187
713 2B56 U5P 6.05187
714 1Y13 BIO 6.07735
715 2YY7 NAD 6.08974
716 2F1K NAP 6.09319
717 2HJR APR 6.09756
718 1ZEM NAD 6.10687
719 2UYQ SAM 6.12903
720 1ZGA SAH 6.16247
721 4TXI FAD 6.17886
722 5FEU NAP 6.18557
723 5XVH NAP 6.20915
724 5OVK NDP 6.25
725 2NU8 COA 6.25
726 2E5V FAD 6.34006
727 5DNK SAH 6.34006
728 3WMX NAD 6.34006
729 3WMX THR 6.34006
730 4DXD 9PC 6.34006
731 4EFH ADP 6.34006
732 1XPJ TLA 6.34921
733 2I7C AAT 6.36042
734 1G55 SAH 6.41399
735 5NII FAD 6.47249
736 2OQ2 A3P 6.51341
737 4NTC FAD 6.56716
738 4B4U NAP 6.60066
739 1W8D NAP 6.62252
740 1W73 NAP 6.62252
741 2RGH FAD 6.62824
742 3NKS FAD 6.62824
743 4JDR FAD 6.62824
744 4BV6 FAD 6.62824
745 2OOR NAD 6.62824
746 5KMS FAD 6.62824
747 1F8G NAD 6.62824
748 4D7E FAD 6.62824
749 5LD5 NAD 6.62824
750 1L7E NAI 6.62824
751 1CDO NAD 6.62824
752 1NM5 NAD 6.62824
753 2VPY PCI 6.62824
754 4EUE NAI 6.62824
755 5DWQ SFG 6.62824
756 5DXA SFG 6.62824
757 5DX8 SFG 6.62824
758 5DX0 SFG 6.62824
759 5DX1 SFG 6.62824
760 5KMS NAD 6.62824
761 4AMV F6R 6.62824
762 5FWA J7C 6.62824
763 4QC6 KAN 6.70391
764 5D4V SAH 6.71642
765 4ZRN NAD 6.73077
766 4ZRN UPG 6.73077
767 1XHL NDP 6.73401
768 5XNC MTA 6.73854
769 4JNA FAD 6.76471
770 1FS5 TLA 6.76692
771 1L3I SAH 6.77083
772 6FDF SAH 6.88623
773 2RGO FAD 6.91643
774 3T31 FAD 6.91643
775 3T31 DCQ 6.91643
776 5ZA2 NXL 6.91643
777 4D04 FAD 6.91643
778 4D04 NAP 6.91643
779 4DCM SAM 6.91643
780 4YAG NAI 6.92042
781 1XTT U5P 6.94444
782 6AA8 NAD 6.95364
783 5YU3 PRO 6.97674
784 5YU3 NAD 6.97674
785 5FFF NAP 7.00389
786 5T9E NAP 7.01107
787 5T9F NAP 7.01107
788 5LX9 OLB 7.04225
789 5E9W SAH 7.05128
790 5KKA 6V0 7.05128
791 5OFW 9TW 7.17489
792 4MOP 2H5 7.20461
793 5JJR SAH 7.20461
794 4ZGS NAD 7.20461
795 5YAP NAI 7.20461
796 4FZV SAM 7.20461
797 5YAP 8S0 7.20461
798 1EJ0 SAM 7.22222
799 3H9E NAD 7.22543
800 3LCC SAH 7.23404
801 4R6W SAH 7.36434
802 4D3F NAP 7.41935
803 2DKN NAI 7.45098
804 4EMJ FAD 7.47664
805 1LVL NAD 7.4928
806 1REO FAD 7.4928
807 3S5W NAP 7.4928
808 3S5W FAD 7.4928
809 4MIG G3F 7.4928
810 4Z24 FAD 7.4928
811 1LVL FAD 7.4928
812 1D4D FAD 7.4928
813 1D1T NAD 7.4928
814 4OSP NAP 7.60456
815 2DC1 NAD 7.62712
816 2BRY FAD 7.64588
817 1NVT NAP 7.66551
818 4H6B 10X 7.69231
819 4BVA NDP 7.76119
820 5UAV NDP 7.76398
821 5UAV TFB 7.76398
822 1WDK NAD 7.78098
823 3Q9T FAY 7.78098
824 4OBW SAM 7.7821
825 3KB6 NAD 7.78443
826 1IM8 SAI 7.78689
827 3GRU AMP 7.79661
828 3OU2 SAH 7.79817
829 1DSS NAD 7.80781
830 2GLX NDP 7.83133
831 1Q6O LG6 7.87037
832 5X9D 80F 7.89474
833 3GGO NAI 7.96178
834 3GGO ENO 7.96178
835 1GV0 NAD 8.06452
836 1GUZ NAD 8.06452
837 5X62 SAH 8.06916
838 2AWN ADP 8.06916
839 1UP7 NAD 8.06916
840 4DMG SAM 8.06916
841 1U1I NAD 8.06916
842 5THQ NDP 8.08823
843 3A28 NAD 8.13953
844 5N2I NAP 8.18966
845 5N53 8NB 8.20513
846 2YVJ NAI 8.25688
847 2YVJ FAD 8.25688
848 1WG8 SAM 8.42105
849 5ZW3 SAH 8.44444
850 1XCL SAH 8.51064
851 2FKA BEF 8.52713
852 2G5C NAD 8.54093
853 5TUF FAD 8.64553
854 1BW9 NAD 8.64553
855 2NPX FAD 8.64553
856 1C1X NAD 8.64553
857 1BXG NAD 8.64553
858 5TUF TDC 8.64553
859 2NPX NAD 8.64553
860 5HJM MTA 8.64553
861 1C1X HFA 8.64553
862 5SYM 71Q 8.69565
863 2WCU FUC 8.72483
864 3VPD BUA 8.8968
865 1XKQ NDP 8.92857
866 1PS9 FAD 8.93372
867 1PN0 IPH 8.93372
868 1PS9 NAP 8.93372
869 1PN0 FAD 8.93372
870 2PEZ DAT 8.93855
871 1XG5 NAP 8.96057
872 3MB5 SAM 9.01961
873 5EJ2 NAD 9.09091
874 3DXY SAM 9.17431
875 1TDF FAD 9.17722
876 1TDF NAP 9.17722
877 4RF2 NAP 9.19118
878 1OBB NAD 9.2219
879 4GDX GLU 9.23077
880 5N5D SAM 9.29204
881 2PXX SAH 9.30233
882 2F5Z FAD 9.375
883 1GZ6 NAI 9.40439
884 1O6Z NAD 9.57096
885 4K5S FAD 9.70149
886 4K5S PM0 9.70149
887 2HMT NAI 9.72222
888 5A04 NDP 9.73451
889 5A04 BGC 9.73451
890 4USR FAD 9.79827
891 5MQ6 NDP 9.79827
892 1Q9I FAD 9.79827
893 1Q9I TEO 9.79827
894 2GZ3 NAP 9.79827
895 3L4S NAD 9.82143
896 3L4S 3PG 9.82143
897 4RT1 C2E 9.82143
898 4PYA 2X3 9.93789
899 1LTH NAD 10.0313
900 3G89 SAM 10.0402
901 1P1C SAH 10.0503
902 1XHC FAD 10.0865
903 3AD8 NAD 10.101
904 3AD8 PYC 10.101
905 3AD8 FAD 10.101
906 5JE0 AZ8 10.1215
907 5JE0 SAH 10.1215
908 1I36 NAP 10.2273
909 1YXM ADE 10.231
910 4YSX FAD 10.2564
911 2GAG FOA 10.3746
912 2GAG FAD 10.3746
913 2GAG NAD 10.3746
914 1O0S NAI 10.3746
915 5TE1 7A2 10.3746
916 6BFN DL1 10.3746
917 1O5I NAD 10.4418
918 5CUQ NSC 10.4869
919 1XVB 3BR 10.5882
920 1W6U NAP 10.596
921 5TTJ FAD 10.6122
922 6F9Q NAD 10.6618
923 3QVP FAD 10.6628
924 1JNR FAD 10.6628
925 4AP3 FAD 10.6628
926 4AP3 NAP 10.6628
927 2HNK SAH 10.8787
928 5CAE COA 10.951
929 2Z9I GLY ALA THR VAL 11.1111
930 2NSJ C2R 11.2426
931 1LSS NAD 11.4286
932 5YEC ATP 11.7647
933 2BOS GLA GAL GLC 11.7647
934 2BOS GLA GAL GLC NBU 11.7647
935 4TM3 FAD 11.8156
936 1MO9 KPC 11.8156
937 1MO9 FAD 11.8156
938 1C3X 8IG 12.0301
939 4II2 ATP 12.0482
940 3RNM FAD 12.069
941 4GUS FAD 12.0968
942 4HSU FAD 12.0968
943 4GUT FAD 12.0968
944 2D2I NAP 12.1037
945 5A2Z GTP 12.1037
946 3EGI ADP 12.1359
947 3B20 NAD 12.3894
948 3B1J NAD 12.3894
949 1N2X SAM 12.6246
950 2AHR NAP 12.7413
951 4XDZ NDP 12.828
952 5MBX FAD 12.9683
953 5MBX SP5 12.9683
954 5ZZ6 ADP 12.9808
955 5ZZ6 NAD 12.9808
956 1UPR 4IP 13.0081
957 4D79 ATP 13.0435
958 3EXS 5RP 13.1222
959 3QFA FAD 13.7931
960 4PLT OXM 13.8973
961 4PLT NAI 13.8973
962 4CQM NAP 13.9344
963 3ORF NAD 13.9442
964 4J56 FAD 14.0351
965 3BGD SAH 14.2308
966 5HSA FAS 14.4092
967 1VDC FAD 14.4144
968 5C2N NAG 14.5833
969 4ITU NAI 14.8699
970 4FN4 NAD 14.9606
971 3O5N BR0 15.1786
972 1JQ3 AAT 15.2027
973 5NM7 GLY 16.1654
974 4R38 RBF 16.4286
975 2XWL CTP 16.5919
976 1J0X NAD 16.8675
977 4HA6 FAD 17.2911
978 2O07 MTA 18.4211
979 2O07 SPD 18.4211
980 2HK9 ATR 18.5455
981 2HK9 NAP 18.5455
982 2V6G NAP 18.732
983 1RYI FAD 19.3084
984 1RYI GOA 19.3084
985 3OFK SAH 20.3704
986 3GD4 FAD 20.9393
987 3GD4 NAD 20.9393
988 5M37 9SZ 25
Pocket No.: 2; Query (leader) PDB : 3ZNN; Ligand: 4WL; Similar sites found with APoc: 988
This union binding pocket(no: 2) in the query (biounit: 3znn.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
1 5FUB SAH 1.18694
2 5HS2 CTP 1.2931
3 1VI2 NAD 1.33333
4 1NPD NAD 1.38889
5 5OF1 SAL 1.42857
6 2JHP SAH 1.44092
7 3GFB NAD 1.44092
8 2JJQ SAH 1.44092
9 1YKF NAP 1.44092
10 6F5W KG1 1.44092
11 2EJU SAH 1.44092
12 3WLE NAD 1.46628
13 5G6U TRP 1.53257
14 1F06 NDP 1.5625
15 1F06 2NP 1.5625
16 4Y9D NAI 1.63934
17 3R7F