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Receptor
PDB id Resolution Class Description Source Keywords
5GSN 2.2 Å EC: 1.-.-.- TMM IN COMPLEX WITH METHIMAZOLE ROSEOVARIUS NUBINHIBENS (STRAIN ATCC BDSM 15170 / ISM) FLAVIN-CONTAINING MONOXYGENASE COMPLEX FLAVOPROTEIN
Ref.: STRUCTURAL MECHANISM FOR BACTERIAL OXIDATION OF OCE TRIMETHYLAMINE INTO TRIMETHYLAMINE N-OXIDE MOL. MICROBIOL. V. 103 992 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP D:501;
C:501;
B:501;
A:501;
Valid;
Invalid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
FAD C:502;
D:502;
B:502;
A:502;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
MMZ A:503;
C:503;
Valid;
Valid;
none;
none;
submit data
114.169 C4 H6 N2 S CN1C=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5GSN 2.2 Å EC: 1.-.-.- TMM IN COMPLEX WITH METHIMAZOLE ROSEOVARIUS NUBINHIBENS (STRAIN ATCC BDSM 15170 / ISM) FLAVIN-CONTAINING MONOXYGENASE COMPLEX FLAVOPROTEIN
Ref.: STRUCTURAL MECHANISM FOR BACTERIAL OXIDATION OF OCE TRIMETHYLAMINE INTO TRIMETHYLAMINE N-OXIDE MOL. MICROBIOL. V. 103 992 2017
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 5IQ1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5GSN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5IPY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5IQ4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5IQ1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5GSN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5IPY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5IQ4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2XVE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 2XVJ - IND C8 H7 N c1ccc2c(c1....
7 2XVI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 2XLT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 5IQ1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5GSN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5IPY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5IQ4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2XVE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 2XVJ - IND C8 H7 N c1ccc2c(c1....
7 2XVI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 2XLT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
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
Ligand no: 3; Ligand: MMZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MMZ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5GSN; Ligand: FAD; Similar sites found with APoc: 838
This union binding pocket(no: 1) in the query (biounit: 5gsn.bio2) has 57 residues
No: Leader PDB Ligand Sequence Similarity
1 3QMN A3P None
2 5GUD 2IT 0.883002
3 5GUD NDP 0.883002
4 4DCM SAM 1.06667
5 5MPT SAH 1.20773
6 5JE8 NAD 1.3245
7 5E4R NAP 1.3245
8 4KRG SAH 1.3245
9 3OND NAD 1.3245
10 3OND ADN 1.3245
11 5M67 ADE 1.3245
12 5M67 NAD 1.3245
13 1MV8 NAD 1.37615
14 1MUU NAD 1.37615
15 1YS4 NAP 1.41243
16 1OXV ANP 1.41643
17 5DWQ SFG 1.43266
18 5DX0 SFG 1.43266
19 5DX8 SFG 1.43266
20 5DXA SFG 1.43266
21 5DX1 SFG 1.43266
22 3TWO NDP 1.43678
23 5TUK FAD 1.47059
24 4MP8 NAD 1.47493
25 4MP8 MLI 1.47493
26 2GSD NAD 1.49254
27 4Z0H NAD 1.49701
28 6BQ6 TER 1.51057
29 5FJN FAD 1.54525
30 5FJN BE2 1.54525
31 3E1T FAD 1.54525
32 1Z45 NAD 1.54525
33 1GV0 NAD 1.6129
34 1HYH NAD 1.61812
35 1HKU NAD 1.67598
36 1GOJ ADP 1.69014
37 1O9P MLA 1.69082
38 1LC3 NAD 1.70068
39 5KMS FAD 1.7284
40 5KMS NAD 1.7284
41 2VVL FAD 1.766
42 1NAA 6FA 1.766
43 2VVM FAD 1.766
44 1NAA ABL 1.766
45 5UAO FAD 1.766
46 1VJT NAD 1.766
47 5BUK FAD 1.77778
48 2NAD NAD 1.78117
49 6FDF SAH 1.79641
50 2XZ9 PYR 1.85185
51 3OJO NAD 1.85615
52 2ZFU SAH 1.86047
53 1E7S NAP 1.86916
54 1P0F NAP 1.87668
55 1I36 NAP 1.89394
56 5G6U TRP 1.91571
57 4ZRN NAD 1.92308
58 3L9W AMP 1.93705
59 3L9W GSH 1.93705
60 2WPB ZZI 1.97368
61 2NVK NAP 1.98676
62 5BRT FAD 1.98676
63 3QVP FAD 1.98676
64 5BRT CH9 1.98676
65 4EIP K2C 1.98676
66 2NVK FAD 1.98676
67 5WP5 SAH 1.98676
68 4OPC PGT 1.98676
69 4OPC FDA 1.98676
70 5WP4 SAH 1.98676
71 2FR1 NDP 1.98676
72 3V1U NAD 1.98676
73 4EIP FAD 1.98676
74 1UWK URO 1.98676
75 1UWK NAD 1.98676
76 3A25 SAM 1.99336
77 5ZBC FAD 1.99557
78 1ORR NAD 2.01729
79 4RSL FAD 2.02247
80 5EIN NAP 2.03488
81 6B92 SAH 2.04082
82 1G55 SAH 2.04082
83 4CNK FAD 2.04604
84 4KRI SAH 2.07852
85 2YX1 SFG 2.08333
86 4MDH NAD 2.09581
87 1SQF SAM 2.0979
88 1QMG APX 2.09924
89 3NYC FAD 2.09974
90 3NYC IAR 2.09974
91 1HDG NAD 2.10843
92 3C3Y SAH 2.1097
93 1TL2 NDG 2.11864
94 2PZM UDP 2.12121
95 2PZM NAD 2.12121
96 5G3U ITW 2.12766
97 5G3U FDA 2.12766
98 4RQU NAD 2.13333
99 3TLJ SAH 2.14477
100 4EUE NAI 2.15311
101 4D79 ATP 2.17391
102 4MO2 FAD 2.17391
103 4MO2 FDA 2.17391
104 1I8T FAD 2.17984
105 6ECT SAM 2.18069
106 1F06 NDP 2.1875
107 4CJX NAP 2.19436
108 2R4J FAD 2.19561
109 2R4J 13P 2.19561
110 2RGH FAD 2.20751
111 4U8P FDA 2.20751
112 4MOP 2H5 2.20751
113 4U8P UDP 2.20751
114 1V8B NAD 2.20751
115 1GPE FAD 2.20751
116 1KNR FAD 2.20751
117 4HA6 FAD 2.20751
118 3PT9 SAH 2.20751
119 3GDN HBX 2.20751
120 3GDN FAD 2.20751
121 5ZI2 NAD 2.20751
122 5ZI2 ADP 2.20751
123 5HSA FAS 2.20751
124 4IVG ANP 2.20751
125 5X62 SAH 2.21675
126 3CIF NAD 2.22841
127 3CIF G3H 2.22841
128 4DPL NAP 2.22841
129 1WVG APR 2.22841
130 5Z21 NAI 2.23464
131 3RFV 15L 2.24719
132 3RFV NAI 2.24719
133 2EV9 NAP 2.28137
134 2EV9 SKM 2.28137
135 4DMG SAM 2.29008
136 1KJ8 GAR 2.30179
137 4XYB NDP 2.30179
138 2Q28 ADP 2.30496
139 1W8D NAP 2.31788
140 1W6U NAP 2.31788
141 1W73 NAP 2.31788
142 5OVK NDP 2.34375
143 4JNA FAD 2.35294
144 1IZC PYR 2.35988
145 1L7N ALF 2.36967
146 6GFK SAH 2.39044
147 4R5M NAP 2.39362
148 3H8V ATP 2.39726
149 1CER NAD 2.41692
150 1F8F NAD 2.42588
151 4YKG NAD 2.42826
152 1E1M FAD 2.42826
153 1E1M NAP 2.42826
154 4YKG FAD 2.42826
155 1YY5 FAD 2.42826
156 5YB7 FAD 2.42826
157 1RSG FAD 2.42826
158 5YB7 ORN 2.42826
159 1FEC FAD 2.42826
160 2AQJ FAD 2.42826
161 2AQJ TRP 2.42826
162 5LOG SAH 2.42826
163 1DJN ADP 2.42826
164 1Q19 SSC 2.42826
165 5JJR SAH 2.42826
166 2RGO FAD 2.42826
167 1U8X NAD 2.42826
168 4IWN GEK 2.42826
169 1KPG SAH 2.43902
170 1ZQ9 SAM 2.45614
171 3F8D FAD 2.47678
172 1T26 GBD 2.48447
173 1T26 NAI 2.48447
174 3LKZ SFG 2.49221
175 4R74 F6P 2.49221
176 1A5Z NAD 2.50784
177 5LD5 NAD 2.51397
178 3NJ4 NAD 2.52874
179 5NC1 NAG 2.53165
180 3NGL NAP 2.53623
181 2WA2 SAM 2.53623
182 1Q1R FAD 2.5522
183 2I3G NAP 2.55682
184 5KJW 53C 2.57611
185 5AYV NAP 2.589
186 5AYV KPL 2.589
187 2B4R AES 2.6087
188 2B4R NAD 2.6087
189 5BW4 SAM 2.62172
190 1H5Q NAP 2.64151
191 4MIG G3F 2.64901
192 3X0D SAH 2.64901
193 5KOX RFP 2.64901
194 5KOX FAD 2.64901
195 6F97 FAD 2.64901
196 5ZW3 SAH 2.66667
197 1CDO NAD 2.6738
198 1Z82 NDP 2.68657
199 6CEP NAD 2.69461
200 6CEP OXM 2.69461
201 9LDT NAD 2.71084
202 9LDB NAD 2.71084
203 5Y8L NAD 2.71186
204 5Y8L HUI 2.71186
205 5O4F 8VE 2.71318
206 2HQM FAD 2.71399
207 5THY SAH 2.71605
208 5THZ SAH 2.71605
209 4LWP SAH 2.71739
210 6GAS FAD 2.71903
211 4OBW SAM 2.72374
212 2FWP ICR 2.73224
213 1LDM NAD 2.73556
214 5YF1 SFG 2.76243
215 4RDH AMP 2.77778
216 4RDI ATP 2.77778
217 1PL6 NAD 2.80899
218 1PL6 572 2.80899
219 1NV8 MEQ 2.8169
220 1NV8 SAM 2.8169
221 1GZ6 NAI 2.82132
222 6HKE MLT 2.83019
223 6HKE LMR 2.83019
224 3NUG NAD 2.83401
225 1QAN SAH 2.86885
226 1PJS NAD 2.86976
227 1REO FAD 2.86976
228 2C7G FAD 2.86976
229 2C7G ODP 2.86976
230 1BZL FAD 2.86976
231 2ZXI FAD 2.86976
232 5EB4 FAD 2.86976
233 2IID FAD 2.86976
234 2IID PHE 2.86976
235 6F3M NAD 2.86976
236 1YJQ NAP 2.86976
237 1BZL GCG 2.86976
238 6D6Y SAH 2.86976
239 1COY FAD 2.86976
240 5OF9 ANP 2.86976
241 1COY AND 2.86976
242 4XZ3 COA 2.86976
243 5W8X UDP 2.87958
244 3ZNN FAD 2.88184
245 3ZNN 4WL 2.88184
246 3WGT QSC 2.88184
247 3WGT FAD 2.88184
248 5ZZ6 ADP 2.88462
249 5ZZ6 NAD 2.88462
250 6EL3 NAP 2.88714
251 3EVG SAH 2.90909
252 1P77 ATR 2.94118
253 1DIG NAP 2.94118
254 3QWI NAP 2.96296
255 1CF2 NAP 2.96736
256 1DLJ NAI 2.98507
257 3BAZ NAP 3.003
258 5NM7 GLY 3.00752
259 2Y6Q FAD 3.01508
260 2Y6Q I7T 3.01508
261 1KOL NAD 3.01508
262 2XVM SAH 3.01508
263 3CBG SAH 3.01724
264 3OZ2 FAD 3.02267
265 1C0I FAD 3.0303
266 1C0I BE2 3.0303
267 4XFR CIT 3.0445
268 4YCA NDP 3.06122
269 3LAD FAD 3.09051
270 5U8U FAD 3.09051
271 5WGR FAD 3.09051
272 1PN0 IPH 3.09051
273 1PN0 FAD 3.09051
274 1GQ2 NAP 3.09051
275 2B56 U5P 3.09051
276 5OC1 FAD 3.09051
277 2DKH FAD 3.09051
278 2DKH 3HB 3.09051
279 3H5N ATP 3.11615
280 4B5W PYR 3.125
281 1ZGS XMM 3.13199
282 4J36 FAD 3.13253
283 4J36 1HR 3.13253
284 5ERG SAM 3.13316
285 1KPH SAH 3.13589
286 3GFB NAD 3.14286
287 1G5N UAP SGN IDS SGN 3.14465
288 2NXE SAM 3.14961
289 5UR0 NAD 3.15186
290 2IXB NAD 3.15315
291 2IXB A2G 3.15315
292 5TC4 NAD 3.16456
293 5BVA FAD 3.17848
294 5I39 FAD 3.18627
295 5EVY FAD 3.19635
296 1O8B ABF 3.19635
297 4M3P HCS 3.20197
298 3G89 SAM 3.21285
299 1SC6 NAD 3.21782
300 4D3F NAP 3.22581
301 3VSE SAH 3.26633
302 4GKV NAD 3.27381
303 1HDR NAD 3.27869
304 3F81 STT 3.27869
305 3D3W NAP 3.27869
306 1PR9 NAP 3.27869
307 4NTC FAD 3.28358
308 5O4J SAH 3.28467
309 5O4J PJL 3.28467
310 5O4J 9KH 3.28467
311 2DBZ NAP 3.29341
312 1YKJ FAD 3.29949
313 1YKJ PHB 3.29949
314 1JAY NAP 3.30189
315 3S5W FAD 3.31126
316 3S5W NAP 3.31126
317 5TS5 FAD 3.31126
318 3AYI FAD 3.31126
319 3AYI HCI 3.31126
320 6AIN FAD 3.31126
321 3S1S SAH 3.31126
322 5T9E NAP 3.32103
323 5UFN SAH 3.36134
324 2QA1 FAD 3.4
325 1JG3 ADN 3.40426
326 1UI0 URA 3.41463
327 2O4C NAD 3.42105
328 2PT9 S4M 3.42679
329 2PT9 2MH 3.42679
330 3RKR NAP 3.43511
331 5EOW FAD 3.45679
332 1NE7 AGP 3.46021
333 1DL5 SAH 3.47003
334 1TPY SAH 3.48432
335 1X14 NAD 3.49127
336 2YYY NAP 3.49854
337 3WLE NAD 3.51906
338 5KKA 6V0 3.52564
339 2YY7 NAD 3.52564
340 1X87 NAD 3.53201
341 4C4A SAH 3.53201
342 5UAV NDP 3.53201
343 5UAV TFB 3.53201
344 1FL2 FAD 3.54839
345 3VPH NAD 3.54839
346 3VPH OXM 3.54839
347 2CDC NAP 3.55191
348 2CDC XYS 3.55191
349 2CDC XYP 3.55191
350 2G5C NAD 3.55872
351 6BII NAP 3.6036
352 2NU8 COA 3.60825
353 3G5S FAD 3.61174
354 3HVJ 705 3.61991
355 3DAG FEG 3.63128
356 5JE0 SAH 3.64372
357 5JE0 AZ8 3.64372
358 4HXY NDP 3.65297
359 1DRV A3D 3.663
360 3DMH SAM 3.67454
361 3DMH GMP 3.67454
362 3A27 SAM 3.67647
363 5GZ6 NDP 3.68098
364 5GZ6 7C3 3.68098
365 1YKF NAP 3.69318
366 3K7M FAD 3.7123
367 4TQG NDP 3.71517
368 3NTD FAD 3.71681
369 2RGJ FAD 3.73134
370 2DFV NAD 3.7464
371 2YG3 FAD 3.75276
372 1Q9I FAD 3.75276
373 1Q9I TEO 3.75276
374 4YNU LGC 3.75276
375 1GZ4 ATP 3.75276
376 4YNU FAD 3.75276
377 2FK8 SAM 3.77358
378 5YU3 NAD 3.77907
379 5YU3 PRO 3.77907
380 3B1F NAD 3.7931
381 4A0S NAP 3.80313
382 1WP4 NDP 3.80623
383 2CVZ NDP 3.80623
384 1ZEM NAD 3.81679
385 5XH2 NPO 3.81679
386 3SSO SAH 3.81862
387 1ZH8 NAP 3.82353
388 3GF4 FAD 3.84615
389 3GF4 UPG 3.84615
390 3BGD SAH 3.84615
391 3BGD PM6 3.84615
392 1G60 SAM 3.84615
393 3KO8 NAD 3.84615
394 1ELI PYC 3.85604
395 1WG8 SAM 3.85965
396 1Q0S SAH 3.861
397 5N2I NAP 3.87931
398 4BVA NDP 3.8806
399 2I7C AAT 3.88693
400 3KLJ FAD 3.8961
401 4KOA NDP 3.9039
402 2Q1W NAD 3.9039
403 1E6E FAD 3.90625
404 1F8G NAD 3.90625
405 1NM5 NAD 3.90625
406 1EBF NAD 3.91061
407 5NUF NAD 3.91566
408 5NUE NAD 3.91566
409 2GLX NDP 3.91566
410 2X6T NAP 3.92157
411 2WSB NAD 3.93701
412 2EJU SAH 3.96825
413 3NT6 FAD 3.97351
414 1V6A TRE 3.97351
415 5DNK SAH 3.97351
416 2IVD FAD 3.97351
417 4AT0 FAD 3.97351
418 4J1Q NDP 3.97351
419 3NTA FAD 3.97351
420 3TKA SAM 3.97351
421 1L1E SAH 3.97351
422 2CVQ NDP 3.97554
423 1KYQ NAD 4.0146
424 1R37 NAD 4.03458
425 1UP7 NAD 4.07674
426 1EZ4 NAD 4.08805
427 1BC5 SAH 4.08922
428 2BD0 NAP 4.09836
429 2GDZ NAD 4.11985
430 1RJW ETF 4.12979
431 3ITJ FAD 4.14201
432 3ITJ CIT 4.14201
433 5FUB SAH 4.1543
434 5KVS NAP 4.15584
435 1NVM NAD 4.16667
436 1L3I SAH 4.16667
437 3IHG FAD 4.19426
438 2JHP SAH 4.19426
439 5FA5 MTA 4.19426
440 4GQB 0XU 4.19426
441 4REP FAD 4.19426
442 3JWH SAH 4.19426
443 5TUF TDC 4.19426
444 5TUF FAD 4.19426
445 4KIB SAH 4.20168
446 4CQM NAP 4.21456
447 5EJ2 NAD 4.22078
448 5HJM MTA 4.26136
449 2DT5 NAD 4.2654
450 1ZK7 FAD 4.28266
451 3FPZ AHZ 4.29448
452 6AA8 NAD 4.30464
453 4C3Y FAD 4.33962
454 4C3Y ANB 4.33962
455 1J5P NAD 4.34783
456 5Z20 NAI 4.34783
457 3Q3C NAD 4.34783
458 2Q46 NAP 4.34783
459 3G2O SAM 4.34783
460 1N1G BCP 4.37158
461 3ABI NAD 4.38356
462 3GRU AMP 4.40678
463 5JWC FAD 4.41459
464 1LDN NAD 4.43038
465 5JCM FAD 4.43459
466 5JCM NAD 4.43459
467 5JCM ISD 4.43459
468 1RYI GOA 4.45026
469 1RYI FAD 4.45026
470 1FWV SGA MAG FUC 4.47761
471 5ULP KB1 4.47761
472 5E8J SAH 4.48718
473 5E9W SAH 4.48718
474 1VDC FAD 4.5045
475 1EQ2 NAP 4.51613
476 3A06 NDP 4.52128
477 1MDC PLM 4.54545
478 4NEC SAH 4.54545
479 3MAG SAH 4.56026
480 1WPQ NAD 4.58453
481 3WV8 ATP 4.58716
482 3DXY SAM 4.58716
483 3WBF NAP 4.59016
484 3WBF API 4.59016
485 1WDK NAD 4.61538
486 1YXM ADE 4.62046
487 3H9E NAD 4.62428
488 1P3D UMA 4.63158
489 1V59 NAD 4.63576
490 5J5Z FAD 4.63576
491 1Y8Q ATP 4.63576
492 2GMH FAD 4.63576
493 1V59 FAD 4.63576
494 1D4D FAD 4.63576
495 5MBX FAD 4.63576
496 5MBX SP5 4.63576
497 3ULK NDP 4.63576
498 2PWY SAH 4.65116
499 4R6W SAH 4.65116
500 2DC1 NAD 4.66102
501 1E5Q NDP 4.66667
502 2A92 NAI 4.6729
503 3MB5 SAM 4.70588
504 3MCT SAH 4.7138
505 2ZIF SAM 4.7138
506 5AOV NAP 4.7619
507 5F8F SFG 4.77454
508 1E3I CXF 4.78723
509 3KB6 NAD 4.79042
510 2AOT SAH 4.79452
511 1JQD SAH 4.79452
512 1PZG A3D 4.83384
513 3EGI ADP 4.85437
514 5ZYN FAD 4.85651
515 3NKS FAD 4.85651
516 3X0V FAD 4.85651
517 4IV9 FAD 4.85651
518 2CUN 3PG 4.87805
519 5NA1 FAD 4.90196
520 2YVF NAD 4.90196
521 2YVF FAD 4.90196
522 1GR0 NAD 4.90463
523 2O07 MTA 4.93421
524 2O07 SPD 4.93421
525 4B4U NAP 4.9505
526 3K5I AIR 4.96278
527 1Z6Z NAP 4.96454
528 1LLU NAD 4.97076
529 1E3W NAD 4.98084
530 1E6W NAD 5
531 4JK3 NAD 5.01931
532 5F1V 3VN 5.05051
533 5Y77 FAD 5.07726
534 3A4T SFG 5.10949
535 1HYE NAP 5.11182
536 5XNC MTA 5.12129
537 2OOR NAD 5.17241
538 3QFA FAD 5.17241
539 3FG2 FAD 5.19802
540 1O6Z NAD 5.28053
541 2DPM SAM 5.28169
542 1GY8 NAD 5.28967
543 2BRY FAD 5.29801
544 5JCA FAD 5.29801
545 6FP4 FAD 5.29801
546 5JCA NDP 5.29801
547 6FP4 E1T 5.29801
548 1O0S NAI 5.29801
549 2E5V FAD 5.29801
550 4TXI FAD 5.29801
551 1JNR FAD 5.33333
552 5N6C NAD 5.33333
553 3OA2 NAD 5.34591
554 1D1T NAD 5.36193
555 3QOX SAH 5.39906
556 1J49 NAD 5.40541
557 5N0J FAD 5.41311
558 3H2B SAH 5.41872
559 6A0S NDP 5.42169
560 6A0S HSE 5.42169
561 4W6Z 8ID 5.4755
562 1PS9 FAD 5.51876
563 4JDR FAD 5.51876
564 1GTE FAD 5.51876
565 1PS9 NAP 5.51876
566 5MZI FAD 5.51876
567 5MZI FYK 5.51876
568 1M2W NAD 5.51876
569 1LJ8 NAD 5.51876
570 2HMT NAI 5.55556
571 2BZG SAH 5.60345
572 5A04 NDP 5.60472
573 5A04 BGC 5.60472
574 2VDV SAM 5.69106
575 1J0X NAD 5.72289
576 4UP3 NDP 5.73248
577 4UP3 FAD 5.73248
578 2HYQ MAN MAN 5.7377
579 4YSX FAD 5.73951
580 2IZ1 ATR 5.73951
581 1H82 FAD 5.73951
582 1H82 GZZ 5.73951
583 1OBB NAD 5.73951
584 2VYN NAD 5.74018
585 1GAD NAD 5.75758
586 5LX6 78P 5.75916
587 6ACS CIT 5.81395
588 2HK9 ATR 5.81818
589 2HK9 NAP 5.81818
590 4EMI FAD 5.85366
591 4EMI NAD 5.85366
592 2XYQ SAH 5.86207
593 1U1I NAD 5.86735
594 5YEC ATP 5.88235
595 6BYF CIT 5.88235
596 5AHO TLA 5.95238
597 1LTH NAD 5.95611
598 1VKO NAD 5.95903
599 4DSG FAD 5.96026
600 4DSG UDP 5.96026
601 4XQC NAD 5.96026
602 4XQC 13D 5.96026
603 1VI2 NAD 6
604 4TSK NDP 6
605 1DSS NAD 6.00601
606 2GCG NDP 6.06061
607 6BWL NAD 6.09756
608 2VHW NAI 6.1008
609 2Q1S NAI 6.1008
610 5TWB FAD 6.10465
611 1C3V NDP 6.12245
612 5X68 FAD 6.13811
613 4J56 FAD 6.14035
614 3ETG GLU 6.18102
615 3ETG NDP 6.18102
616 2P41 SAH 6.22951
617 1NPD NAD 6.25
618 1JI0 ATP 6.25
619 1X7D NAD 6.28571
620 1X7D ORN 6.28571
621 4BJZ FAD 6.36792
622 4BJZ P3A 6.36792
623 1XCL SAH 6.38298
624 3LCC SAH 6.38298
625 3SQP FAD 6.40177
626 2JB2 FAD 6.40177
627 2JB2 PHE 6.40177
628 1K3T BRZ 6.40669
629 2YVJ NAI 6.42202
630 5MIT FAD 6.42202
631 5MIT NAP 6.42202
632 2YVJ FAD 6.42202
633 1I9G SAM 6.42857
634 2F1K NAP 6.45161
635 2VT3 ATP 6.51163
636 2PXX SAH 6.51163
637 5DF1 NAP 6.52174
638 5DF1 58X 6.52174
639 3V1Y NAD 6.52819
640 5CAE COA 6.58228
641 3JQ9 NAP 6.59722
642 3BMO NAP 6.59722
643 3BMQ NAP 6.59722
644 3JQF NAP 6.59722
645 4CM4 NAP 6.59722
646 3JQB NAP 6.59722
647 4CM8 NAP 6.59722
648 3JQG NAP 6.59722
649 3JQ8 NAP 6.59722
650 4CME NAP 6.59722
651 3BMN NAP 6.59722
652 4CMI NAP 6.59722
653 4CM9 NAP 6.59722
654 4CLR NAP 6.59722
655 4CLO NAP 6.59722
656 4M37 SAH 6.62252
657 4M38 SAH 6.62252
658 4CP8 MLI 6.62252
659 1H2B NAJ 6.68524
660 4FZV SAM 6.69456
661 2CBZ ATP 6.75105
662 1O5I NAD 6.82731
663 4ZCC FAD 6.84524
664 4ZCC NAI 6.84524
665 3RNM FAD 6.89655
666 1P9P SAH 6.89655
667 1SAY PYR 6.92521
668 1LUA NAP 6.96864
669 1RRC ADP 6.97674
670 1NYT NAP 7.01107
671 5E5U MLI 7.03518
672 1BXK NAD 7.04225
673 5TCI MLI 7.07317
674 5N5D SAM 7.07965
675 5D4V SAH 7.08955
676 1JQ3 AAT 7.09459
677 1FP2 SAH 7.10227
678 1LSS NAD 7.14286
679 1OMO NAD 7.14286
680 3VYW SAM 7.14286
681 3L4S NAD 7.14286
682 3L4S 3PG 7.14286
683 5OFW 9TW 7.17489
684 3Q87 SAM 7.2
685 5A96 GTP 7.22892
686 1WY7 SAH 7.24638
687 5EES NAP 7.28745
688 1N2X SAM 7.30897
689 4L8F MTX 7.37179
690 3FUU ADN 7.38007
691 5DN9 NAD 7.41758
692 1GEG NAD 7.42188
693 4EMJ FAD 7.47664
694 1XTP SAI 7.48031
695 3LZW FAD 7.53012
696 3LZW NAP 7.53012
697 1P1C SAH 7.53769
698 5MLR NAP 7.54258
699 5MLR GRQ 7.54258
700 5A1T OXM 7.62463
701 5A1T NAI 7.62463
702 2D2I NAP 7.63158
703 4XDY NAI 7.69231
704 1R0X ATP 7.69231
705 6F9Q NAD 7.72059
706 3GCZ SAM 7.72627
707 1GET NAP 7.77778
708 1GET FAD 7.77778
709 2F5Z FAD 7.8125
710 2HNK SAH 7.94979
711 4L8V NAP 8.01187
712 5AOA PPI 8.04196
713 1RP0 AHZ 8.09859
714 3EYK EYK 8.13953
715 1QO8 FAD 8.16777
716 5N53 8NB 8.20513
717 1LVL NAD 8.38852
718 1LVL FAD 8.38852
719 2PV7 NAD 8.38926
720 4RPL 3UC 8.5213
721 4RPL FAD 8.5213
722 1SOW NAD 8.53659
723 3B20 NAD 8.55457
724 3B1J NAD 8.55457
725 5HS2 CTP 8.62069
726 4JJF FE9 8.72093
727 4JJF N2I 8.72093
728 4O48 ASP 8.73494
729 5L95 AMP 8.75
730 1O94 ADP 8.75
731 1VM6 NAD 8.77193
732 4USR FAD 8.86427
733 5EZ7 FAD 8.92857
734 4MCC 21X 8.94309
735 5KVA SAM 8.99281
736 2Q0L NAP 9.00322
737 2Q0L FAD 9.00322
738 5FPE 3TR 9.04393
739 1NVT NAP 9.05923
740 3AD8 NAD 9.09091
741 3AD8 PYC 9.09091
742 3AD8 FAD 9.09091
743 4TM3 FAD 9.25508
744 4J4H 1J1 9.26641
745 4J4H NAI 9.26641
746 3SAO DBH 9.375
747 5W3K 9TY 9.41177
748 4GLL NAD 9.49555
749 5K4W THR 9.65732
750 5K4W NAI 9.65732
751 3ZNR NU9 9.69267
752 1UXG NAD 9.70874
753 1UXG FUM 9.70874
754 3JQA NAP 9.72222
755 3JQ7 NAP 9.72222
756 4II2 ATP 9.81595
757 1KEV NDP 9.97151
758 3C6K SPD 9.97375
759 3C6K MTA 9.97375
760 1MO9 KPC 10.1545
761 1MO9 FAD 10.1545
762 3LU1 NAD 10.1648
763 3QJ4 FAD 10.2339
764 1RM0 NAI 10.3753
765 5BJX UDP 10.3825
766 5BJX NAD 10.3825
767 1RM4 NDP 10.3858
768 2WD7 NAP 10.4478
769 2PZE ATP 10.4803
770 5ZJ5 NAI 10.4938
771 5X20 NAD 10.5769
772 2JJQ SAH 10.5882
773 1APZ ASP 10.6383
774 2NPX FAD 10.7383
775 2NPX NAD 10.7383
776 2FKA BEF 10.8527
777 5X9D 80F 11.1842
778 3T7S SAM 11.194
779 2WPF FAD 11.2583
780 2WPF WPF 11.2583
781 3KIF GDL 11.3208
782 1BW9 NAD 11.5169
783 1BXG NAD 11.5169
784 1C1X NAD 11.5493
785 1EJ0 SAM 11.6667
786 4YMH SAH 11.6667
787 1R18 SAH 11.8943
788 4URF NAD 12.0968
789 3BXO SAM 12.1339
790 6DNT NAD 12.5
791 5C2N NAG 12.5
792 3HDY FAD 12.5945
793 3HDY FDA 12.5945
794 3HDY GDU 12.5945
795 2CDU ADP 12.6106
796 2CDU FAD 12.6106
797 1IM8 SAI 12.7049
798 3ORF NAD 12.749
799 1TDF NAP 12.9747
800 1TDF FAD 12.9747
801 1YQZ FAD 13.4703
802 3GGO NAI 14.0127
803 3GGO ENO 14.0127
804 4QTU SAM 14.0741
805 3BBH SFG 14.6341
806 5H81 NAP 14.653
807 3UCL NAP 14.6597
808 3UCL FAD 14.6597
809 3UCL CYH 14.6597
810 5ODQ FAD 14.6739
811 5ODQ 9SB 14.6739
812 4XUC SAM 14.6789
813 4XUC 43G 14.6789
814 4XDZ NDP 14.8688
815 1GUZ NAD 15.1613
816 4POO SAM 15.5
817 3IWD M2T 16.1765
818 3OFK SAH 17.1296
819 3AB1 FAD 17.2222
820 2A8X FAD 17.6724
821 4M52 FAD 17.8112
822 4M52 M52 17.8112
823 6GAR FAD 18.0516
824 3U31 NAD 18.6207
825 3GDH SAH 18.6722
826 4D04 FAD 19.8675
827 4D04 NAP 19.8675
828 4AP3 NAP 20.3091
829 4AP3 FAD 20.3091
830 3QV1 NAD 20.7317
831 4USQ FAD 22.1607
832 3RGG AIR 22.6415
833 2Q7V FAD 25.8462
834 6F5Z SAH 29.5082
835 1VQW FAD 36.8653
836 2GV8 FAD 37.3602
837 2GVC FAD 37.3602
838 2GV8 NDP 37.3602
Pocket No.: 2; Query (leader) PDB : 5GSN; Ligand: NAP; Similar sites found with APoc: 849
This union binding pocket(no: 2) in the query (biounit: 5gsn.bio2) has 58 residues
No: Leader PDB Ligand Sequence Similarity
1 5GUD 2IT 0.883002
2 5GUD NDP 0.883002
3 4DCM SAM 1.06667
4 5MPT SAH 1.20773
5 5JE8 NAD 1.3245
6 5E4R NAP 1.3245
7 4KRG SAH 1.3245
8 3OND ADN 1.3245
9 3OND NAD 1.3245
10 5M67 NAD 1.3245
11 5M67 ADE 1.3245
12 1MV8 NAD 1.37615
13 1MUU NAD 1.37615
14 1YS4 NAP 1.41243
15 1OXV ANP 1.41643
16 5DWQ SFG 1.43266
17 5DX0 SFG 1.43266
18 5DX8 SFG 1.43266
19 5DXA SFG 1.43266
20 5DX1 SFG 1.43266
21 3TWO NDP 1.43678
22 5TUK FAD 1.47059
23 4MP8 MLI 1.47493
24 4MP8 NAD 1.47493
25 2GSD NAD 1.49254
26 4Z0H NAD 1.49701
27 6BQ6 TER 1.51057
28 5FJN FAD 1.54525
29 5FJN BE2 1.54525
30 3E1T FAD 1.54525
31 1Z45 NAD 1.54525
32 1GV0 NAD 1.6129
33 1HYH NAD 1.61812
34 1HKU NAD 1.67598
35 1GOJ ADP 1.69014
36 1O9P MLA 1.69082
37 1LC3 NAD 1.70068
38 5KMS FAD 1.7284
39 5KMS NAD 1.7284
40 2VVL FAD 1.766
41 1NAA 6FA 1.766
42 1NAA ABL 1.766
43 2VVM FAD 1.766
44 1VJT NAD 1.766
45 5UAO FAD 1.766
46 5BUK FAD 1.77778
47 2NAD NAD 1.78117
48 6FDF SAH 1.79641
49 2XZ9 PYR 1.85185
50 3OJO NAD 1.85615
51 2ZFU SAH 1.86047
52 1E7S NAP 1.86916
53 1P0F NAP 1.87668
54 1I36 NAP 1.89394
55 5G6U TRP 1.91571
56 4ZRN NAD 1.92308
57 3L9W AMP 1.93705
58 3L9W GSH 1.93705
59 2WPB ZZI 1.97368
60 2NVK NAP 1.98676
61 5BRT FAD 1.98676
62 3QVP FAD 1.98676
63 5BRT CH9 1.98676
64 4EIP K2C 1.98676
65 2NVK FAD 1.98676
66 5WP5 SAH 1.98676
67 4OPC PGT 1.98676
68 4OPC FDA 1.98676
69 5WP4 SAH 1.98676
70 2FR1 NDP 1.98676
71 3V1U NAD 1.98676
72 1UWK URO 1.98676
73 1UWK NAD 1.98676
74 4EIP FAD 1.98676
75 3A25 SAM 1.99336
76 5ZBC FAD 1.99557
77 1ORR NAD 2.01729
78 4RSL FAD 2.02247
79 5EIN NAP 2.03488
80 6B92 SAH 2.04082
81 1G55 SAH 2.04082
82 4CNK FAD 2.04604
83 4KRI SAH 2.07852
84 2YX1 SFG 2.08333
85 4ZNO SUC 2.08955
86 4MDH NAD 2.09581
87 1SQF SAM 2.0979
88 1QMG APX 2.09924
89 3NYC IAR 2.09974
90 3NYC FAD 2.09974
91 1HDG NAD 2.10843
92 3C3Y SAH 2.1097
93 5XVS UDP 2.11082
94 2PZM NAD 2.12121
95 2PZM UDP 2.12121
96 5G3U ITW