Receptor
PDB id Resolution Class Description Source Keywords
2VVL 2.45 Å EC: 1.4.3.4 THE STRUCTURE OF MAO-N-D3, A VARIANT OF MONOAMINE OXIDASE FROM ASPERGILLUS NIGER. ASPERGILLUS NIGER MONOAMINE OXIDASE ASPERGILLUS NIGER FAD PEROXISOME FLAVOPROTEIN OXIDOREDUCTASE ENANTIOSELECTIVITY DIRECTED EVOLUTION VARIANT
Ref.: THE STRUCTURE OF MONOAMINE OXIDASE FROM ASPERGILLUS NIGER PROVIDES A MOLECULAR CONTEXT FOR IMPROVEMENTS IN ACTIVITY OBTAINED BY DIRECTED EVOLUTION. J.MOL.BIOL. V. 384 1218 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:601;
C:601;
C:602;
D:601;
F:601;
G:601;
G:602;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FAD A:600;
B:600;
C:600;
D:600;
E:600;
F:600;
G:600;
H:600;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
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
2VVL 2.45 Å EC: 1.4.3.4 THE STRUCTURE OF MAO-N-D3, A VARIANT OF MONOAMINE OXIDASE FROM ASPERGILLUS NIGER. ASPERGILLUS NIGER MONOAMINE OXIDASE ASPERGILLUS NIGER FAD PEROXISOME FLAVOPROTEIN OXIDOREDUCTASE ENANTIOSELECTIVITY DIRECTED EVOLUTION VARIANT
Ref.: THE STRUCTURE OF MONOAMINE OXIDASE FROM ASPERGILLUS NIGER PROVIDES A MOLECULAR CONTEXT FOR IMPROVEMENTS IN ACTIVITY OBTAINED BY DIRECTED EVOLUTION. J.MOL.BIOL. V. 384 1218 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2VVL - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2VVL - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2VVL - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 2VVL; Ligand: FAD; Similar sites found: 458
This union binding pocket(no: 1) in the query (biounit: 2vvl.bio4) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1LDM NAD 0.0004986 0.44566 1.51976
2 2HJR APR 0.00009564 0.49686 1.52439
3 1MUU NAD 0.0001471 0.48078 1.6055
4 1MV8 NAD 0.00007899 0.40084 1.6055
5 1P7T PYR 0.04791 0.42039 1.61616
6 1M2W NAD 0.005684 0.41958 1.62272
7 2FR1 NDP 0.001654 0.41997 1.64609
8 4BJZ P3A 0.0001293 0.46122 1.65094
9 4BJZ FAD 0.02693 0.40235 1.65094
10 1JI0 ATP 0.01966 0.43189 1.66667
11 1JQ3 AAT 0.001548 0.41858 1.68919
12 2I3G NAP 0.001202 0.42788 1.70455
13 2C7G ODP 0.0000004665 0.53504 1.75439
14 2C7G FAD 0.000000504 0.53504 1.75439
15 3GD4 NAD 0.000002041 0.52919 1.81818
16 3GD4 FAD 0.000001843 0.51747 1.81818
17 2AQJ FAD 0.00001909 0.48263 1.81818
18 2AQJ TRP 0.00003188 0.47383 1.81818
19 4BV6 FAD 0.0000004219 0.52038 1.82556
20 3NYC FAD 0.0000004458 0.53205 1.83727
21 3NYC IAR 0.0000004458 0.53205 1.83727
22 2BH9 NAP 0.01362 0.42083 1.84049
23 5M67 NAD 0.00128 0.41057 1.87891
24 5M67 3D1 0.001718 0.40617 1.87891
25 5M67 ADE 0.001933 0.40441 1.87891
26 1FS5 TLA 0.0265 0.40657 1.8797
27 2JJQ SAH 0.002102 0.46495 1.88235
28 2FK8 SAM 0.01809 0.4028 1.88679
29 3VPH OXM 0.000293 0.40875 1.93548
30 5MZI FAD 0.000003851 0.50721 1.95228
31 5MZI FYK 0.000004467 0.50593 1.95228
32 1KNR FAD 0.0000003083 0.52204 2.0202
33 1VKO NAD 0.004976 0.40168 2.0202
34 2B4R NAD 0.000159 0.40572 2.02899
35 3G5S FAD 0.0000005205 0.50336 2.0316
36 3QJ4 FAD 0.0000000000002794 0.7475 2.04678
37 1LLU NAD 0.001465 0.41704 2.04678
38 3B1J NAD 0.0003443 0.45199 2.0649
39 1DXY NAD 0.000067 0.40459 2.1021
40 1CER NAD 0.0001968 0.4718 2.1148
41 3S5W FAD 0.000003893 0.45505 2.15983
42 2GZ3 NAP 0.001767 0.40575 2.18579
43 1KEW NAD 0.001124 0.4143 2.21607
44 1KEW TYD 0.002606 0.4008 2.21607
45 3QVP FAD 0.00000005125 0.55429 2.22222
46 2WPF WPF 0.000002997 0.5372 2.22222
47 2WPF FAD 0.000003796 0.53131 2.22222
48 4DPL NAP 0.001067 0.43265 2.22841
49 4ITU NAI 0.002951 0.40803 2.23048
50 1FEC FAD 0.000001316 0.51075 2.2449
51 1BZL FAD 0.000003219 0.53469 2.26337
52 3NJ4 NAD 0.004533 0.42266 2.29885
53 3NJ4 AFX 0.01118 0.40742 2.29885
54 1HSR BHO 0.02144 0.42409 2.32558
55 1R6D DAU 0.001432 0.41151 2.37389
56 1R6D NAD 0.001527 0.41138 2.37389
57 4J36 FAD 0.000001007 0.47936 2.40964
58 4J36 1HR 0.00001425 0.47176 2.40964
59 1J0X NAD 0.0006924 0.41481 2.40964
60 1GQ2 NAP 0.001944 0.42505 2.42424
61 2O2C G6Q 0.0295 0.40426 2.42424
62 3OND ADN 0.0008805 0.41522 2.45902
63 3ABI NAD 0.0003268 0.45288 2.46575
64 3LU1 NAD 0.001549 0.42626 2.47253
65 4TM3 FAD 0.00007895 0.46746 2.48307
66 4O0L NDP 0.00282 0.41352 2.54545
67 5HJM MTA 0.008334 0.42116 2.55682
68 5N53 8NB 0.002204 0.48559 2.5641
69 4ZRN UPG 0.001294 0.41041 2.5641
70 1UXG NAD 0.0003186 0.41637 2.589
71 3ZNN 4WL 0.0000001744 0.55239 2.59366
72 3ZNN FAD 0.0000001744 0.55239 2.59366
73 3WGT FAD 0.0000001918 0.54071 2.59366
74 3WGT QSC 0.0000002321 0.53923 2.59366
75 3VYW SAM 0.000987 0.45998 2.5974
76 5WGR FAD 0.0000045 0.48913 2.62626
77 5JJR SAH 0.00387 0.44005 2.62626
78 4NEC SAH 0.008813 0.43011 2.65152
79 3V1Y NAD 0.00007772 0.48848 2.67062
80 2Q1W NAD 0.000249 0.45136 2.7027
81 3BAZ NAP 0.005293 0.41531 2.7027
82 1DSS NAD 0.00003261 0.40747 2.7027
83 9LDB NAD 0.0001604 0.40552 2.71084
84 9LDT NAD 0.0001837 0.40336 2.71084
85 5KMS FAD 0.000002448 0.47985 2.71605
86 5KMS NAD 0.00003045 0.47453 2.71605
87 2HMT NAI 0.00002245 0.4006 2.77778
88 3CIF NAD 0.00008642 0.4069 2.78552
89 3WMX NAD 0.002065 0.42959 2.7933
90 1GTE FAD 0.000001537 0.43718 2.82828
91 3KLJ FAD 0.00000009641 0.51207 2.85714
92 2GVC FAD 0.00000007744 0.51464 2.90828
93 2GV8 FAD 0.0000001271 0.5122 2.90828
94 2VHW NAI 0.0005338 0.40326 2.91777
95 3FZG SAM 0.02579 0.40715 3
96 3G2O SAM 0.003792 0.44047 3.01003
97 5UAO FAD 0.0000118 0.46317 3.0303
98 1Z45 NAD 0.0003121 0.45367 3.0303
99 1HKU NAD 0.0006508 0.43822 3.07263
100 5U8U FAD 0.0000001698 0.56066 3.1185
101 1EZ4 NAD 0.0001951 0.47196 3.14465
102 3OA2 NAD 0.005106 0.40824 3.14465
103 4FN4 NAD 0.002724 0.4166 3.14961
104 2YLN CYS 0.04634 0.41443 3.18021
105 4NBU NAI 0.002049 0.4189 3.2
106 1XDS SAM 0.02057 0.41533 3.20856
107 4MIG G3F 0.0000006556 0.52373 3.23232
108 3OJO NAD 0.000008881 0.41307 3.24826
109 1VQW FAD 0.0000002676 0.49825 3.28228
110 4NTC FAD 0.00000008553 0.5436 3.28358
111 4MDH NAD 0.006243 0.40717 3.29341
112 1VDC FAD 0.00000007652 0.55439 3.3033
113 1W73 NAP 0.004275 0.42204 3.31126
114 1V6A TRE 0.001293 0.49928 3.31325
115 2DT5 NAD 0.00008549 0.47934 3.31754
116 2CDU FAD 0.0000003082 0.50778 3.31858
117 2CDU ADP 0.00000006402 0.43726 3.31858
118 5JCM NAD 0.000001298 0.529 3.32594
119 5JCM ISD 0.000001298 0.529 3.32594
120 5JCM FAD 0.000001218 0.529 3.32594
121 3LAD FAD 0.00000006165 0.54999 3.36134
122 3GMB FAD 0.00002356 0.44134 3.37349
123 2E5V FAD 0.0000002482 0.53116 3.38983
124 2R4J 13P 0.0000007933 0.52461 3.39321
125 2R4J FAD 0.0000007933 0.47011 3.39321
126 5BVA FAD 0.00000007553 0.55014 3.42298
127 4M52 FAD 0.0000001438 0.53762 3.43348
128 4Z24 FAD 0.00000001418 0.57145 3.43434
129 1GPE FAD 0.00000004469 0.55941 3.43434
130 4AP3 FAD 0.00000061 0.53659 3.43434
131 4AP3 NAP 0.00000061 0.53659 3.43434
132 3CGB FAD 0.0000001409 0.52184 3.43434
133 1Y8Q ATP 0.00003334 0.51225 3.43434
134 2A8X FAD 0.0000001638 0.52396 3.44828
135 5EOW FAD 0.000004703 0.46281 3.45679
136 2RGO FAD 0.0000003636 0.50952 3.45964
137 2AHR NAP 0.004296 0.40643 3.4749
138 1NVM NAD 0.00132 0.42631 3.52564
139 3CGD NAD 0.000001227 0.53981 3.54167
140 3CGD COA 0.000001227 0.53981 3.54167
141 3CGD FAD 0.000001227 0.53981 3.54167
142 4XQC 13D 0.0008093 0.41354 3.57895
143 4XQC NAD 0.001175 0.40705 3.57895
144 3SJU NDP 0.003294 0.41091 3.58423
145 2QA1 FAD 0.0000001417 0.56114 3.6
146 1I0Z NAI 0.0004393 0.44782 3.6036
147 4J56 FAD 0.00000005084 0.55597 3.63636
148 4HA6 FAD 0.00000007254 0.54919 3.63636
149 1PS9 FAD 0.00000006178 0.54833 3.63636
150 1N4W FAD 0.0000007699 0.51456 3.63636
151 5JWC FAD 0.0000002699 0.50663 3.63636
152 4EIP FAD 0.000003372 0.4968 3.63636
153 4EIP K2C 0.000003372 0.4968 3.63636
154 3IHG FAD 0.000002963 0.45181 3.63636
155 1O0S NAI 0.002609 0.43433 3.63636
156 1DLJ NAI 0.0007185 0.42012 3.63636
157 1DLJ UGA 0.002013 0.40468 3.63636
158 4E5N NAD 0.0002814 0.40099 3.63636
159 3T31 FAD 0.00001541 0.48196 3.66133
160 3T31 DCQ 0.00001758 0.48196 3.66133
161 3DMH SAM 0.01141 0.4119 3.67454
162 2RGH FAD 0.0000004531 0.51633 3.67776
163 2NVK FAD 0.0000001437 0.53604 3.68852
164 1V8B NAD 0.0004502 0.40651 3.75783
165 1G55 SAH 0.00476 0.43238 3.79009
166 4RSL FAD 0.000003188 0.4771 3.82022
167 4XYB NDP 0.002436 0.40886 3.83632
168 1QO8 FAD 0.00000006003 0.55038 3.83838
169 5VN0 FAD 0.00000121 0.51569 3.83838
170 2BRY FAD 0.0000004956 0.4885 3.83838
171 4TXI FAD 0.0000004659 0.48463 3.83838
172 5VN0 NAI 0.000008967 0.42224 3.83838
173 2V3A FAD 0.0000006323 0.50476 3.90625
174 2V3B FAD 0.0000006827 0.50004 3.90625
175 5JE8 NAD 0.0001749 0.47762 3.97351
176 3UOY FAD 0.0000005588 0.54411 4.0404
177 3UOY NAP 0.0000005588 0.54411 4.0404
178 1D4D FAD 0.0000001475 0.53878 4.0404
179 1NAA 6FA 0.00000009136 0.53218 4.0404
180 4G74 FAD 0.0000009588 0.52687 4.0404
181 1NAA ABL 0.0000001895 0.48361 4.0404
182 4YCA NDP 0.0002119 0.47047 4.0404
183 4G74 UQ5 0.000003921 0.4636 4.0404
184 2IXB NAD 0.002398 0.41625 4.05405
185 4K28 NAD 0.0003703 0.46392 4.08922
186 3TY3 GGG 0.04325 0.41488 4.09836
187 5HSA FAS 0.00000006803 0.54693 4.24242
188 4C3Y FAD 0.000003543 0.48942 4.24242
189 4C3Y ANB 0.00001254 0.47733 4.24242
190 2PZM NAD 0.00167 0.40189 4.24242
191 2PZM UDP 0.00167 0.40189 4.24242
192 2NPX FAD 0.000001003 0.5223 4.25056
193 2NPX NAD 0.000002912 0.43622 4.25056
194 2CUL FAD 0.0000004765 0.49795 4.31034
195 2HQM FAD 0.00000001381 0.57184 4.38413
196 3A27 SAM 0.00361 0.44147 4.41176
197 2V6O FAD 0.000001749 0.41225 4.44444
198 1Z82 NDP 0.006202 0.40729 4.44444
199 1RPN NDP 0.004658 0.40278 4.47761
200 2X3N FAD 0.000006471 0.46853 4.51128
201 4RDH AMP 0.000007289 0.58075 4.51389
202 1FL2 FAD 0.000000009439 0.56808 4.51613
203 3TLJ SAH 0.004729 0.42306 4.55764
204 3JUC PCA 0.01679 0.4365 4.57516
205 1LVL NAD 0.000000264 0.62128 4.58515
206 1LVL FAD 0.0000000471 0.5412 4.58515
207 3JV7 NAD 0.0002419 0.45802 4.63768
208 2GMH FAD 0.0000005042 0.51779 4.64646
209 5TUK FAD 0.00003278 0.41792 4.65686
210 2RGJ FAD 0.000002853 0.46654 4.72637
211 3SQP FAD 0.0000009351 0.58258 4.81172
212 4AG5 ADP 0.02297 0.43017 4.84694
213 1PN0 IPH 0.0000006783 0.52322 4.84848
214 1PN0 FAD 0.0000006214 0.52322 4.84848
215 2DKH 3HB 0.000001025 0.50107 4.84848
216 2DKH FAD 0.0000003005 0.49551 4.84848
217 4K5S FAD 0.000001004 0.48234 4.84848
218 4K5S PM0 0.00001201 0.4803 4.84848
219 2WET FAD 0.000008083 0.47742 4.84848
220 1OC2 TDX 0.0008826 0.42135 4.88506
221 1OC2 NAD 0.0008826 0.42135 4.88506
222 1EK6 UPG 0.003157 0.40193 4.88506
223 5TUF FAD 0.000006259 0.51241 4.88998
224 5TUF TDC 0.00001815 0.41301 4.88998
225 3F8D FAD 0.0000003601 0.5539 4.95356
226 4LH7 1X8 0.03553 0.4157 4.95356
227 1C0I BE2 0.007879 0.40845 4.95868
228 1C0I FAD 0.007879 0.40845 4.95868
229 4USR FAD 0.0000004087 0.49341 4.98615
230 2Y6Q I7T 0.00000589 0.48853 5.02513
231 2Y6Q FAD 0.0000004254 0.48664 5.02513
232 2Q1S NAI 0.0002707 0.42859 5.03979
233 1MO9 FAD 0.00000007004 0.58644 5.05051
234 1MO9 KPC 0.00000007456 0.58636 5.05051
235 2ZXI FAD 0.0000007276 0.52724 5.05051
236 1YKJ FAD 0.00002246 0.48288 5.07614
237 1YKJ PHB 0.00002246 0.48288 5.07614
238 1Q1R FAD 0.000001455 0.51657 5.10441
239 1HDG NAD 0.0004296 0.46121 5.12048
240 2YVF NAD 0.000003868 0.50914 5.14706
241 2YVF FAD 0.000003628 0.50914 5.14706
242 1GV0 NAD 0.0001484 0.40047 5.16129
243 1GR0 NAD 0.0003398 0.40537 5.17711
244 4REP FAD 0.0000000001445 0.62804 5.25253
245 5FJN FAD 0.0000001277 0.53935 5.26316
246 5FJN BE2 0.0000001747 0.53927 5.26316
247 5JCA FAD 0.00000004961 0.55316 5.28169
248 5JCA NDP 0.0000003181 0.54771 5.28169
249 2IVD FAD 0.0000000002428 0.65616 5.43933
250 5MBX FAD 0.00000000000002554 0.78877 5.45455
251 5MBX SP5 0.00000000000002554 0.78877 5.45455
252 4YNU LGC 0.0000001228 0.54874 5.45455
253 4YNU FAD 0.00000009644 0.54655 5.45455
254 1COY FAD 0.0000006137 0.51493 5.45455
255 5MQ6 NDP 0.0001885 0.48402 5.45455
256 1COY AND 0.000003658 0.439 5.45455
257 3LST SAH 0.007767 0.43657 5.45977
258 1KYQ NAD 0.000003242 0.40609 5.47445
259 1YQZ FAD 0.00000242 0.51434 5.47945
260 3OZ2 FAD 0.0000000511 0.55519 5.54156
261 3AXB FAD 0.00000001524 0.58673 5.58036
262 3AXB PRO 0.00000004371 0.54774 5.58036
263 5EB4 FAD 0.0000001613 0.53131 5.65657
264 2VDV SAM 0.0008772 0.4839 5.69106
265 2F1K NAP 0.00005553 0.49452 5.73477
266 1E3W NAD 0.001756 0.42412 5.74713
267 4QTU SAM 0.002842 0.44271 5.76923
268 1E6W NAD 0.00435 0.40859 5.76923
269 4EMI NAD 0.000001107 0.52741 5.85366
270 4EMI FAD 0.0000002801 0.51638 5.85366
271 4MOP 2H5 0.0000001808 0.54691 5.85859
272 4NTD FAD 0.0000003726 0.51199 5.88235
273 5H81 NAP 0.0002084 0.48622 5.9126
274 1JG3 ADN 0.0007222 0.47428 5.95745
275 1J49 NAD 0.0001037 0.40408 6.00601
276 3WE0 FAD 0.000000000008642 0.68169 6.06061
277 3GDN HBX 0.0000003658 0.53503 6.06061
278 3GDN FAD 0.0000002064 0.53234 6.06061
279 3NTA FAD 0.0000005273 0.52828 6.06061
280 3NT6 FAD 0.0000003949 0.51211 6.06061
281 3NTD FAD 0.0000006802 0.50416 6.06061
282 1V59 FAD 0.00000001093 0.58021 6.06695
283 1V59 NAD 0.0000001569 0.4075 6.06695
284 3C8F MT2 0.0121 0.43298 6.12245
285 4CNK FAD 0.00000006596 0.53671 6.13811
286 1IM8 SAI 0.005667 0.42567 6.14754
287 3FG2 FAD 0.0000008932 0.48494 6.18812
288 3LXD FAD 0.0000004452 0.49924 6.26506
289 1NYT NAP 0.003417 0.42332 6.27306
290 1LDN NAD 0.00008385 0.41318 6.32911
291 4DMG SAM 0.01315 0.42885 6.36132
292 2B9W FAD 0.0000000002165 0.65305 6.36792
293 5EZ7 FAD 0.00000009597 0.53569 6.37755
294 4X9M FAD 0.00000009639 0.53861 6.45933
295 2Z3Y F2N 6.264e-16 0.82147 6.46465
296 4IV9 FAD 0.000000000001181 0.71265 6.46465
297 3AYI HCI 0.000000000007203 0.70145 6.46465
298 3AYI FAD 0.000000000006518 0.70121 6.46465
299 3Q9T FAY 0.0000003379 0.51482 6.46465
300 1HYH NAD 0.00007336 0.47497 6.47249
301 3OFK SAH 0.00093 0.45742 6.48148
302 4YRY FAD 0.00000004089 0.55599 6.52174
303 4YRY NAD 0.0000002238 0.54495 6.52174
304 1SB8 UD2 0.001942 0.40691 6.53409
305 1SB8 NAD 0.002162 0.40185 6.53409
306 3GFB NAD 0.001991 0.42739 6.57143
307 3CTY FAD 0.000000002172 0.60239 6.58307
308 4OBW SAM 0.0142 0.40757 6.61479
309 1XHC FAD 0.00000008251 0.52531 6.66667
310 4AT0 FAD 0.000001491 0.51019 6.66667
311 2RAB NAD 0.00000005099 0.58047 6.69546
312 2RAB FAD 0.00000001638 0.57265 6.69546
313 2PV7 NAD 0.0002336 0.46524 6.71141
314 2I7C AAT 0.00266 0.40973 6.71378
315 3WLE NAD 0.0004167 0.40674 6.74487
316 4DSG UDP 0.000000005926 0.60794 6.81818
317 4DSG FAD 0.000000005926 0.60794 6.81818
318 5I39 FAD 0.0000004458 0.5098 6.86275
319 1YY5 FAD 8.882e-16 0.8186 6.86869
320 1RSG FAD 0.0000000000000121 0.77551 6.86869
321 3ICS FAD 0.00000007458 0.53527 6.86869
322 3ICT FAD 0.00000006265 0.53365 6.86869
323 3ICR FAD 0.0000001016 0.52705 6.86869
324 3ICT ADP 0.00000007445 0.40907 6.86869
325 3ICS ADP 0.0000001204 0.40689 6.86869
326 3WV8 ATP 0.00001146 0.40607 6.88073
327 5BUK FAD 0.00000005094 0.55594 6.88889
328 1H82 GZZ 0.00000000000002098 0.80301 6.99153
329 1H82 FAD 0.00000000000001144 0.80301 6.99153
330 1BW9 NAD 0.000637 0.46471 7.02247
331 1C1X NAD 0.0004857 0.45558 7.04225
332 1R6N 434 0.0226 0.42998 7.109
333 3NKS FAD 0.0000000001511 0.65772 7.12788
334 4USQ FAD 0.000000515 0.49537 7.20222
335 4JNA FAD 0.0000001069 0.54195 7.35294
336 1Q9I TEO 0.0000008313 0.52855 7.35552
337 1Q9I FAD 0.0000008313 0.45583 7.35552
338 5J7X FAD 0.0000002884 0.51513 7.47475
339 5J60 FAD 0.00000002111 0.56017 7.5
340 2XVE FAD 0.000002445 0.51521 7.5431
341 2XVF FAD 0.0000003864 0.50716 7.5431
342 1E1M FAD 0.0000003991 0.5362 7.6087
343 1E6E FAD 0.00000005066 0.53341 7.6087
344 1E1M NAP 0.0000003991 0.47243 7.6087
345 1N4K I3P 0.04116 0.41655 7.61155
346 3F81 STT 0.03139 0.40857 7.65027
347 3FPZ AHZ 0.00349 0.44183 7.66871
348 3RNM FAD 0.00000001386 0.57346 7.67677
349 4D7E FAD 0.00001845 0.45213 7.69231
350 4OPC FDA 0.0000007995 0.55824 7.72627
351 4OPC PGT 0.000001173 0.55663 7.72627
352 4ZCC NAI 0.000000000005805 0.70116 7.7381
353 4ZCC FAD 0.000000000005805 0.70116 7.7381
354 1RP0 AHZ 0.0000002341 0.49366 7.74648
355 1GEG NAD 0.002938 0.41531 7.8125
356 5EVY FAD 0.001826 0.44108 7.99087
357 1ZMD NAI 0.000001525 0.56421 8.01688
358 1ZMD FAD 0.00000002371 0.55097 8.01688
359 3G89 SAM 0.0006833 0.48931 8.03213
360 3AB1 FAD 0.00000005302 0.55464 8.05556
361 3LZW NAP 0.0000002096 0.55076 8.13253
362 3LZW FAD 0.00000003573 0.54466 8.13253
363 1ZK7 FAD 0.00000002955 0.53748 8.13704
364 4UP3 FAD 0.00000004201 0.55044 8.28025
365 2VOH CIT 0.004838 0.46385 8.28025
366 4U8P FDA 0.00000001044 0.47138 8.28283
367 4U8P UDP 0.00000001203 0.46381 8.28283
368 3ITJ FAD 0.0000001302 0.54787 8.28402
369 1NPD NAD 0.007314 0.41204 8.33333
370 2Q0L FAD 0.00000005609 0.54973 8.36013
371 2Q0L NAP 0.000222 0.50829 8.36013
372 1W7J ADP BEF 0.02742 0.4028 8.60927
373 3QFA FAD 0.0000002152 0.52523 8.62069
374 2VYN NAD 0.0001138 0.4022 8.68263
375 1GET FAD 0.000000024 0.59223 8.88889
376 1GET NAP 0.00000002762 0.59223 8.88889
377 4D04 NAP 0.0000006841 0.53693 8.88889
378 4D04 FAD 0.0000006841 0.53693 8.88889
379 4MO2 FDA 0.000000008668 0.59541 8.96739
380 4MO2 FAD 0.000000006882 0.5941 8.96739
381 1ELI PYC 0.0000046 0.47686 8.99743
382 1KPG SAH 0.01692 0.40143 9.05923
383 1I8T FAD 0.000000006692 0.57299 9.26431
384 4J4H NAI 0.00762 0.42341 9.26641
385 4J4H 1J1 0.005812 0.41305 9.26641
386 4JK3 NAD 0.00004819 0.4066 9.26641
387 4KOA NDP 0.007036 0.43129 9.30931
388 4P83 U5P 0.02249 0.42053 9.34066
389 4EMJ FAD 0.0000002296 0.52259 9.34579
390 3UCL CYH 0.000003973 0.5116 9.49495
391 3UCL FAD 0.000003973 0.5116 9.49495
392 3UCL NAP 0.00000473 0.5116 9.49495
393 3GGO NAI 0.0003629 0.4232 9.55414
394 3GGO ENO 0.0003629 0.4232 9.55414
395 1RYI FAD 0.0000004639 0.519 9.89899
396 1RYI GOA 0.001873 0.43029 9.89899
397 2G5C NAD 0.0001664 0.40495 9.96441
398 2YVJ FAD 0.000001696 0.48753 10.0917
399 2YVJ NAI 0.0000003612 0.42411 10.0917
400 1TDF FAD 0.00000001338 0.57879 10.443
401 1TDF NAP 0.0000002004 0.56314 10.443
402 3GF4 FAD 0.00000003136 0.49958 10.5128
403 3GF4 UPG 0.00000002253 0.49102 10.5128
404 2JAP NDP 0.006271 0.40004 10.5263
405 3HDY FAD 0.0000001629 0.55804 10.5793
406 3HDY GDU 0.0000002056 0.55554 10.5793
407 3HDY FDA 0.0000001915 0.55554 10.5793
408 2F5Z FAD 0.00000002105 0.56734 10.9375
409 3E1T FAD 0.0000001142 0.54253 11.1111
410 1O94 ADP 0.00000006665 0.47806 11.3131
411 1DJN ADP 0.00000004533 0.47766 11.3131
412 2GND MAN 0.003479 0.47579 11.5079
413 2PHR MAN MAN BMA MAN 0.008872 0.4462 11.5079
414 2PHW MAN MAN 0.0145 0.43919 11.5079
415 2PHT MAN MAN MAN BMA MAN 0.01446 0.43064 11.5079
416 2GN3 MAN 0.01933 0.42398 11.5079
417 1Q8Q MAN MMA 0.02576 0.42382 11.5079
418 2PHR MAN MAN 0.03599 0.41731 11.5079
419 2GND MAN MMA 0.03615 0.4172 11.5079
420 2GAG NAD 0.00000007522 0.53121 12.1212
421 2GAG FAD 0.0000009888 0.51365 12.1212
422 2GAG FOA 0.0000012 0.51079 12.1212
423 2BKX F6R 0.02979 0.40721 12.3967
424 1JNR FAD 0.0000004762 0.55227 12.6667
425 3AD8 NAD 0.00000001905 0.53818 13.1313
426 3AD8 FAD 0.000002603 0.51912 13.1313
427 3AD8 PYC 0.000002603 0.51912 13.1313
428 3EGV SAH 0.002132 0.45615 13.3858
429 2NXE SAM 0.002302 0.45065 13.3858
430 5G3U FDA 0.0000000000002752 0.71161 13.4752
431 5G3U ITW 0.000000000004178 0.69444 13.4752
432 3P13 RIP 0.009008 0.44898 13.8889
433 5ODQ FAD 0.0000002803 0.52787 14.0893
434 2Q7V FAD 0.000000001452 0.60289 14.1538
435 4RPL 3UC 0.00000004504 0.58349 14.2857
436 4RPL FAD 0.00000004122 0.58156 14.2857
437 5BR7 FAD 0.00000003148 0.58342 15.5216
438 5BR7 FLC 0.0000001463 0.5597 15.5216
439 3KU0 ADE 0.03654 0.41181 15.9363
440 4JDR FAD 0.00000008839 0.54312 17.9325
441 4YSX FAD 0.0000000655 0.54409 21.9858
442 3GDH SAH 0.002493 0.43207 21.9917
443 1PTR PRB 0.03903 0.40644 22
444 4GUT FAD 0.000000000000001221 0.81896 25.0505
445 4FWE FAD 8.882e-16 0.81657 25.0505
446 4GUS FAD 0.000000000000001554 0.81023 25.0505
447 4HSU FAD 0.000000000000002998 0.80107 25.0505
448 3EGI ADP 0.002704 0.47925 25.2427
449 1XXR MAN 0.00531 0.45762 25.4658
450 2JB2 FAD 0.0000000000000494 0.76654 28.2209
451 2JB2 PHE 0.00000000000007294 0.75373 28.2209
452 2IID PHE 0.00000000003428 0.58207 35.5556
453 2IID FAD 0.00000000003428 0.58207 35.5556
454 5TS5 FAD 0.000000000006591 0.68138 36.9835
455 1REO FAD 0.00000000001202 0.66355 37.037
456 2YG3 FAD 7.772e-16 0.80771 41.0596
457 3K7M FAD 0.00000000000002764 0.66899 44.0835
458 5TTJ FAD 7.533e-17 0.83305 45.102
Pocket No.: 2; Query (leader) PDB : 2VVL; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2vvl.bio4) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2VVL; Ligand: FAD; Similar sites found: 37
This union binding pocket(no: 3) in the query (biounit: 2vvl.bio2) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4D79 ATP 0.000008098 0.40272 1.08696
2 2NUN ADP 0.04504 0.40723 1.85759
3 2J5V PCA 0.03022 0.42657 1.90736
4 3VPH NAD 0.0004613 0.40023 1.93548
5 1YQD NAP 0.004094 0.40168 2.18579
6 3B9Q MLI 0.004761 0.45923 2.31788
7 3BMQ AX5 0.03821 0.41391 2.43056
8 5JCJ NAP 0.007412 0.40079 2.43056
9 3JQA NAP 0.00873 0.40027 2.43056
10 1GUZ NAD 0.0001158 0.40384 2.58065
11 5WGR PM7 0.02549 0.40054 2.62626
12 3A28 NAD 0.006049 0.40196 3.10078
13 1SC6 NAD 0.0003137 0.40348 3.21782
14 1UWK NAD 0.00166 0.40592 3.23232
15 1UWK URO 0.00166 0.40592 3.23232
16 2DVZ GLU 0.03304 0.41083 3.50318
17 1BXK NAD 0.0001617 0.40243 3.66197
18 1LTH NAD 0.00004424 0.4041 3.76176
19 3L9W AMP 0.00032 0.40101 3.87409
20 1UDB NAD 0.002672 0.40317 4.14201
21 1I2B NAD 0.002786 0.40495 4.20792
22 2Z9V PXM 0.03441 0.41752 4.33673
23 1LSS NAD 0.00001529 0.4004 5
24 2JHF NAD 0.01871 0.40431 5.08021
25 3HAD NAD 0.002819 0.40066 5.51948
26 3BBH SFG 0.01981 0.40873 5.85366
27 3B1F NAD 0.00002974 0.40206 6.2069
28 1G8S MET 0.02493 0.42236 6.52174
29 2CBZ ATP 0.03958 0.40863 7.173
30 5O4J 9KH 0.000626 0.40036 7.66423
31 5O4J SAH 0.000626 0.40036 7.66423
32 1GXU 2HP 0.04722 0.40414 7.69231
33 4TR1 GSH 0.04828 0.40727 8.69565
34 2NSJ C2R 0.007029 0.44181 9.46746
35 3OU2 SAH 0.01021 0.40232 10.0917
36 1XCL SAH 0.004239 0.40335 10.2128
37 1Q8S MAN MMA 0.00908 0.45338 11.5079
Pocket No.: 4; Query (leader) PDB : 2VVL; 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: 2vvl.bio2) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2VVL; Ligand: FAD; 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: 2vvl.bio3) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2VVL; Ligand: FAD; Similar sites found: 11
This union binding pocket(no: 6) in the query (biounit: 2vvl.bio3) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LL5 IP8 0.04678 0.4149 1.60643
2 1D8C GLV 0.02987 0.42889 1.61616
3 4FUA PGH 0.04624 0.41122 1.86047
4 3JQG AX6 0.04838 0.41137 2.43056
5 4CM4 NAP 0.007069 0.40257 2.43056
6 2X1L ADN 0.03692 0.40248 2.62626
7 2P69 PLP 0.02494 0.42852 4.90196
8 1QMG APX 0.01481 0.40138 5.05051
9 4IXH IMP 0.01477 0.40144 8.03324
10 2PHT MAN MAN MAN 0.01462 0.44 11.5079
11 2GN3 MMA 0.02916 0.42132 11.5079
Pocket No.: 7; Query (leader) PDB : 2VVL; Ligand: FAD; Similar sites found: 11
This union binding pocket(no: 7) in the query (biounit: 2vvl.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3I9U DTU 0.02794 0.42005 1.90114
2 4PLG NAI 0.0009884 0.40073 2.69461
3 5AOA PPI 0.03415 0.40839 3.84615
4 1QMG DMV 0.04706 0.40677 5.05051
5 1ZEM NAD 0.0001028 0.40082 5.72519
6 1R37 NAD 0.0005718 0.4012 6.62824
7 1GOJ ADP 0.02072 0.42952 6.76056
8 1O8B ABF 0.04677 0.40634 7.30594
9 1E3I CXF 0.002728 0.40165 11.1702
10 2PHW MAN MAN MAN BMA MAN MAN MAN 0.02218 0.41996 11.5079
11 2TPI ILE VAL 0.0266 0.40256 13.7931
Pocket No.: 8; Query (leader) PDB : 2VVL; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2vvl.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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