-->
Receptor
PDB id Resolution Class Description Source Keywords
3EYA 2.5 Å EC: 1.2.2.2 STRUCTURAL BASIS FOR MEMBRANE BINDING AND CATALYTIC ACTIVATION OF THE PERIPHERAL MEMBRANE ENZYME PYRUVATE O XIDASE FROM ESCHERICHIA COLI ESCHERICHIA COLI PYRUVATE OXIDASE MEMBRANE-ASSOCIATED FLAVOPROTEIN DEHYDROGENASE INTERACTIONS WITH LIPIDS CELL MEMBRANE FADFLAVOPROTEIN LIPID-BINDING MAGNESIUM MEMBRANE OXIDOREDUCTASE THIAMINE PYROPHOSPHATE
Ref.: STRUCTURAL BASIS FOR MEMBRANE BINDING AND CATALYTIC ACTIVATION OF THE PERIPHERAL MEMBRANE ENZYME PYRUVATE OXIDASE FROM ESCHERICHIA COLI. PROC.NATL.ACAD.SCI.USA V. 105 17390 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:612;
B:612;
C:612;
D:612;
E:612;
F:612;
G:612;
H:612;
I:612;
J:612;
K:612;
L:612;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
MG A:613;
B:613;
C:613;
D:613;
E:613;
F:613;
G:613;
H:613;
I:613;
J:613;
K:613;
L:613;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:614;
A:615;
A:616;
A:617;
A:618;
A:619;
B:614;
B:615;
B:616;
C:614;
C:615;
D:614;
D:615;
D:616;
D:617;
D:618;
D:619;
D:620;
E:614;
E:615;
F:614;
F:615;
G:614;
G:615;
G:616;
H:614;
H:615;
I:614;
I:615;
J:614;
K:614;
L:614;
L:615;
L:616;
L:617;
L:618;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
TDP A:611;
B:611;
C:611;
D:611;
E:611;
F:611;
G:611;
H:611;
I:611;
J:611;
K:611;
L:611;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
424.306 C12 H18 N4 O7 P2 S Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EYA 2.5 Å EC: 1.2.2.2 STRUCTURAL BASIS FOR MEMBRANE BINDING AND CATALYTIC ACTIVATION OF THE PERIPHERAL MEMBRANE ENZYME PYRUVATE O XIDASE FROM ESCHERICHIA COLI ESCHERICHIA COLI PYRUVATE OXIDASE MEMBRANE-ASSOCIATED FLAVOPROTEIN DEHYDROGENASE INTERACTIONS WITH LIPIDS CELL MEMBRANE FADFLAVOPROTEIN LIPID-BINDING MAGNESIUM MEMBRANE OXIDOREDUCTASE THIAMINE PYROPHOSPHATE
Ref.: STRUCTURAL BASIS FOR MEMBRANE BINDING AND CATALYTIC ACTIVATION OF THE PERIPHERAL MEMBRANE ENZYME PYRUVATE OXIDASE FROM ESCHERICHIA COLI. PROC.NATL.ACAD.SCI.USA V. 105 17390 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3EYA - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3EYA - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3EYA - TDP C12 H18 N4 O7 P2 S Cc1c(sc[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: TDP; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 TDP 1 1
2 TPP 0.84 0.985714
3 V4E 0.797468 0.985714
4 TPS 0.77027 0.942857
5 TMV 0.75 0.944444
6 VNP 0.703704 0.945205
7 N1T 0.674699 1
8 2TP 0.609195 0.918919
9 VIB 0.605263 0.760563
10 5SR 0.582418 0.958333
11 FTP 0.574713 0.847222
12 O2T 0.546392 0.896104
13 PYI 0.483871 0.873239
14 HTL 0.474227 0.945205
15 TDW 0.474227 0.958333
16 AUJ 0.47 0.907895
17 THV 0.46 0.945205
18 TD6 0.457143 0.907895
19 WWF 0.455446 0.92
20 TOG 0.451923 0.907895
21 TPW 0.451613 0.885714
22 THY 0.45098 0.932432
23 TD8 0.448598 0.907895
24 TD9 0.448598 0.907895
25 THW 0.447619 0.945205
26 TDL 0.446602 0.884615
27 TDK 0.442308 0.907895
28 D7K 0.415929 0.896104
29 TPU 0.410526 0.828947
30 R1T 0.405941 0.873239
31 S1T 0.405941 0.873239
32 T5X 0.403509 0.884615
33 T6F 0.403509 0.884615
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EYA; Ligand: FAD; Similar sites found with APoc: 242
This union binding pocket(no: 1) in the query (biounit: 3eya.bio3) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 2CE7 ADP 1.2605
2 4B2D SER 1.45985
3 5Z5I XYP 1.4733
4 5W7K SAH 1.60256
5 3LST SAH 1.72414
6 1WG8 SAM 1.75439
7 1WUU ANP 1.75439
8 1KJ8 GAR 1.79028
9 1VMK GUN 1.80505
10 2JHP SAH 1.82149
11 3OBT SLB 1.84332
12 5X62 SAH 1.97044
13 3K5I AIR 1.98511
14 3PT9 SAH 2.00364
15 4YAC NAI 2.0202
16 4AZW SAM 2.12314
17 1XDS SAM 2.13904
18 3L8G GMB 2.13904
19 1QZZ SAM 2.13904
20 5XNC MTA 2.15633
21 3JWH SAH 2.30415
22 1YXM ADE 2.31023
23 3UDG TMP 2.32558
24 3L6C MLI 2.35988
25 4KRG SAH 2.36052
26 4YDD MGD 2.4024
27 4YDD MD1 2.4024
28 1IM8 SAI 2.45902
29 3BXO SAM 2.51046
30 1V59 NAD 2.51046
31 4KIB SAH 2.52101
32 1X87 NAD 2.55009
33 2P69 PLP 2.61438
34 3FXU TSU 2.62295
35 5F8F SFG 2.65252
36 2YX1 SFG 2.67857
37 6FDF SAH 2.69461
38 4I5I NAD 2.78746
39 5OJ7 AR6 2.7972
40 5A96 GTP 2.81124
41 5HJM MTA 2.84091
42 2UYQ SAM 2.90323
43 1EU1 GLC 2.91439
44 2EG5 SAH 2.95699
45 5DY5 5GR 2.96053
46 6BE0 COA 2.98013
47 3RKR NAP 3.05344
48 2JJQ SAH 3.05882
49 3UCJ AZM 3.0837
50 1BW9 NAD 3.08989
51 1F3L SAH 3.11526
52 2CDO GAL AAL GAL AAL GAL AAL 3.125
53 1O5O U5P 3.16742
54 4P4M D3T 3.1746
55 4KRI SAH 3.23326
56 2WA2 SAM 3.26087
57 6EQS BV8 3.27273
58 3RIY NAD 3.2967
59 3LGS ADE 3.37079
60 2EFJ SAH 3.38542
61 3O7W SAM 3.40136
62 1G60 SAM 3.46154
63 1ZQ9 SAM 3.50877
64 4WBD CIT 3.51201
65 1KYZ SAH 3.56164
66 3DXY SAM 3.66972
67 4A6D SAM 3.68272
68 1SQF SAM 3.7296
69 1FP1 SAH 3.76344
70 2AOT SAH 3.76712
71 6HQD SRT 3.80952
72 5MGZ SAH 3.81356
73 2J5V PCA 3.81471
74 1ZEM NAD 3.81679
75 1LCF OXL 3.82514
76 3PMA SCR 3.861
77 1DJL NAP 3.86473
78 5YF1 SFG 3.8674
79 3GU3 SAH 3.87324
80 4OBW SAM 3.89105
81 1QGQ UDP 3.92157
82 4Y9D NAI 3.93443
83 3KP6 SAL 3.97351
84 2IZ1 ATR 4.00844
85 2XVM SAH 4.0201
86 3VSE SAH 4.0201
87 1O97 AMP 4.0625
88 1O97 FAD 4.0625
89 3TKY SAH 4.07609
90 6BYF CIT 4.11765
91 2CUN 3PG 4.14634
92 4DE2 DN3 4.18251
93 4DE3 DN8 4.18251
94 2Z4T C5P 4.28016
95 2BZG SAH 4.31034
96 1D4O NAP 4.34783
97 1O9P MLA 4.34783
98 1VE3 SAM 4.40529
99 5LHT TIH 4.42177
100 2HIM ASN 4.46927
101 5E8J SAH 4.48718
102 3VC1 SAH 4.48718
103 5E9W SAH 4.48718
104 3CQL NAG 4.52675
105 1UAY ADN 4.54545
106 5DNK SAH 4.55373
107 4L2I FAD 4.56274
108 3GWZ SAH 4.60705
109 3GXO SAH 4.60705
110 2IMG MLT 4.63576
111 3VZS NAP 4.66926
112 2RI1 GLP 4.68085
113 6FTB M0E 4.7619
114 6BQ6 TER 4.83384
115 4JN6 OXL 4.91329
116 1ZGA SAH 4.91803
117 2NU5 NAG 4.91803
118 5KXE 6Y2 4.93827
119 1EJ0 SAM 5
120 3L9W AMP 5.08475
121 3ABI NAD 5.20548
122 4IWN GEK 5.24017
123 2PYY GLU 5.26316
124 4CQM NAP 5.32787
125 4DMG SAM 5.34351
126 1WPQ 13P 5.44413
127 3U31 NAD 5.51724
128 3LCC SAH 5.53191
129 2BO4 FLC 5.54156
130 3G89 SAM 5.62249
131 5YRI GLC GLC 5.6338
132 5YRF GLC GLC 5.6338
133 5NM7 GLY 5.6391
134 5WP4 SAH 5.70265
135 5WP5 SAH 5.70265
136 1LSS NAD 5.71429
137 3EGI ADP 5.82524
138 4USI AKG 5.84416
139 1P77 ATR 5.88235
140 1FNZ A2G 5.90717
141 5AHO TLA 5.95238
142 1JG3 ADN 5.95745
143 5BW4 SAM 5.99251
144 5AB1 BCD TA5 HP6 MAN 6
145 4JE7 BB2 6.09137
146 2PT9 S4M 6.23053
147 3QH2 3NM 6.33484
148 5BSZ SAH 6.4
149 2PXX SAH 6.51163
150 5JGL SAM 6.57439
151 2O07 MTA 6.57895
152 6HOY AR6 6.62252
153 6HOY TSN 6.62252
154 3TKA SAM 6.62824
155 4KXQ APR 6.66667
156 1S7G NAD 6.71937
157 1S7G APR 6.71937
158 3ZG6 APR 6.75676
159 1NM5 NAP 6.89655
160 1NM5 NAD 6.89655
161 1KYQ NAD 6.93431
162 5KOK SAH 7.0529
163 2NXE SAM 7.08661
164 4JX1 CAH 7.10383
165 1VHW ADN 7.11462
166 5LE1 6UW 7.14286
167 2QQF A1R 7.14286
168 2OD9 A1R NCA 7.14286
169 3MMH SME 7.18563
170 4WOH 4NP 7.22892
171 5M58 SAH 7.3913
172 1SZD APR 7.40741
173 5FA8 SAM 7.45342
174 1FWV SGA MAG FUC 7.46269
175 5A3B APR 7.59076
176 1EFV AMP 7.61905
177 1EFV FAD 7.61905
178 1M2K APR 7.63052
179 2HMT NAI 7.63889
180 2DVZ GLU 7.64331
181 2EJU SAH 7.67196
182 1PNO NAP 7.77778
183 3G2O SAM 8.02676
184 2OOR TXP 8.04598
185 2VDV SAM 8.13008
186 1NVM OXL 8.19672
187 3RFV NAI 8.2397
188 3RFV 15L 8.2397
189 2VOH CIT 8.28025
190 1R18 SAH 8.37004
191 1P0Z FLC 8.39695
192 3GEG NAD 8.50202
193 4CQK PIO 8.51064
194 2G50 ALA 8.67924
195 4NEC SAH 8.71212
196 2WPB ZZI 9.21053
197 1L3I SAH 9.89583
198 3F81 STT 10.3825
199 4PTN GXV 10.3825
200 3T7S SAM 10.4478
201 3ITJ CIT 10.6509
202 4POO SAM 11
203 3ZUY TCH 11.1455
204 4JSR 1NQ 11.2281
205 3C3Y SAH 11.3924
206 1WY7 SAH 11.5942
207 4BUZ NAD 11.7886
208 4BUZ OAD 11.7886
209 4BUZ OCZ 11.7886
210 1YC5 NCA 11.7886
211 3AB4 THR 11.7978
212 1FP2 SAH 11.9318
213 3MYZ TFX 12
214 2ZIF SAM 12.4579
215 5CB8 ADX 12.6904
216 4XJ6 GH3 13.2678
217 2HNK SAH 13.8075
218 5E72 SAM 14.4509
219 4RHS SIA SIA GAL 14.7541
220 3H2B SAH 15.2709
221 1MZC SUC 16.7539
222 6F5Z SAH 17.316
223 1Z0N BCD 20.8333
224 5FA5 MTA 30
225 3OFK SAH 33.7963
226 2C31 ADP 38.7978
227 2C31 TZD 38.7978
228 2FKA BEF 40
229 4D5G TPP 41.1658
230 4D5G FAD 41.1658
231 2Q28 ADP 42.0765
232 1T9D P25 45.9016
233 1T9D 1MM 45.9016
234 1T9D PYD 45.9016
235 1T9D FAD 45.9016
236 5WKC FAD 45.9016
237 6DEN FAD 46.0838
238 6DEN G8A 46.0838
239 6DEN TP9 46.0838
240 1V5F TPP 47.9053
241 1V5F FAD 47.9053
242 1YBH FAD 47.9053
Pocket No.: 2; Query (leader) PDB : 3EYA; Ligand: TDP; Similar sites found with APoc: 164
This union binding pocket(no: 2) in the query (biounit: 3eya.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3HQP FDP 1.2024
2 6FXR UDP 1.27505
3 5LQ8 GB 1.41844
4 5U97 PIT 1.52091
5 1IGW PYR 1.6129
6 4TQK NAG 1.63934
7 1WUU GLA 1.75439
8 3QTP 2PG 1.81406
9 3H4T UDP 1.9802
10 1ZGS XMM 2.01342
11 6B5K TYD 2.02703
12 3OTH TYD 2.18447
13 4NAE 1GP 2.22222
14 3BF8 MLA 2.35294
15 6F5W KG1 2.36794
16 1RP7 TZD 2.36794
17 2QV7 ADP 2.37389
18 3BF1 PAU 2.40964
19 1NE7 16G 2.42215
20 3CV2 COA 2.44361
21 2FN1 SAL 2.51716
22 1PFK ADP 2.55009
23 5KOD IAC 2.55009
24 2VZ6 FEF 2.55591
25 2IYA UDP 2.59434
26 3AI7 TPP 2.73224
27 1VBH PEP 2.73224
28 5A96 GTP 2.81124
29 3LL5 IP8 2.81124
30 4G86 BNT 2.8169
31 3QPB R1P 2.83688
32 2FN8 RIP 2.9703
33 1SZ0 M6P 3.00926
34 4XWT U5P 3.09654
35 1RRV TYD 3.125
36 1G41 ADP 3.15315
37 5MB4 NAG 3.2419
38 5MB4 NDG 3.2419
39 1NW4 IMH 3.26087
40 3WRB GDE 3.34928
41 2XZ9 PYR 3.39506
42 3EXH TPP 3.40314
43 5KOH HCA 3.40681
44 1SQL GUN 3.42466
45 4X1T UDP 3.43137
46 4YFB PAC 3.46084
47 1G8S MET 3.47826
48 5OD2 GLC 3.49345
49 5AVF TAU 3.50195
50 4WBD CIT 3.51201
51 6AM8 TRP 3.53535
52 2O1S TDP 3.64299
53 5NC1 NAG 3.79747
54 2R5N TPP 3.82514
55 2R5N R5P 3.82514
56 2R5N RP5 3.82514
57 1TKB N1T 4.00729
58 4UP4 GAL NAG 4.2394
59 2F67 12B 4.34783
60 2F62 12M 4.34783
61 1MFI FHC 4.38596
62 5IFK HPA 4.48718
63 2C42 PYR 4.55373
64 2C42 TPP 4.55373
65 2IYF UDP 4.57831
66 1VJ7 GPX 4.58015
67 3W2W ATP 4.65839
68 2RI1 GLP 4.68085
69 1KC7 PPR 4.73588
70 1VL1 CIT 4.74138
71 3CTL S6P 4.7619
72 1R9J TPP 4.91803
73 2NU5 NAG 4.91803
74 2HYR BGC GLC 4.91803
75 2GUD MAN 4.91803
76 2NUO BGC 4.91803
77 2OZL TPP 4.93151
78 2XHK AKG 4.95496
79 5YBL AKG 5.09554
80 5OF1 SAL 5.2381
81 1B09 PC 5.33981
82 4M52 M52 5.36481
83 2J9L ATP 5.40541
84 1TV5 ORO 5.41761
85 4B5W PYR 5.46875
86 1XXR MAN 5.59006
87 5YRF GLC GLC 5.6338
88 3KC1 2T6 5.63798
89 1LYX PGA 5.64516
90 3SIG AR6 5.77617
91 4AVV CD 5.88235
92 1TD2 PXL 5.92335
93 5ESO ISC 6.01093
94 5ESO TDP 6.01093
95 1C3X 8IG 6.01504
96 1PVN MZP 6.11702
97 2ZL4 ALA ALA ALA ALA 6.12245
98 3LA3 2FT 6.17284
99 3QH2 3NM 6.33484
100 5DUS APR 6.54762
101 5TQZ GLC 6.66667
102 3BRE C2E 6.70391
103 1ITZ TPP 6.73953
104 5EXE 5SR 6.98413
105 3HWW AKG 7.10383
106 4R2I ANP 7.14286
107 4XDY HIO 7.39645
108 1G2O IMH 7.46269
109 5O2Z FLC 7.56302
110 5W6Y TRP 7.91139
111 2P4S DIH 8.31099
112 5ND5 TPP 8.56102
113 6F3G CJN 9.15254
114 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 9.58904
115 2QQD AG2 9.82143
116 5B48 TDN 9.83607
117 4XZ3 ACP 10
118 6AC9 ANP 11.6216
119 4PYA 2X3 11.8012
120 1UMD TDP COI 12.2616
121 2YIC TPP 12.9326
122 1XVB BHL BHL 12.9412
123 1XVB 3BR 12.9412
124 1OLS TDP 13.25
125 3DVA TPW 13.2791
126 1W85 TDP 14.2857
127 2X7J TPP 14.3898
128 1QS0 TDP 15.2334
129 2UV4 AMP 17.7632
130 5B47 PYR 18.0921
131 5B47 TPP 18.0921
132 1QPB PYM 34.6084
133 1QPB TPP 34.6084
134 2VK4 TPP 34.9727
135 3FSJ D7K 37.6894
136 2NXW TPP 37.7049
137 2C31 TZD 38.7978
138 2C31 ADP 38.7978
139 1UPA TPP 39.0925
140 2IHT TPP 39.0925
141 2IHU TP9 39.6161
142 2VBF TPP 39.7086
143 4D5G FAD 41.1658
144 4D5G TPP 41.1658
145 3IAE D7K 41.8944
146 2UZ1 TPP 41.8944
147 1ZPD DPX 41.9014
148 2Q28 TPP 42.0765
149 4RJK TPP 43.898
150 4RJK TDL 43.898
151 1OZH HE3 45.3552
152 1T9D P25 45.9016
153 1T9D FAD 45.9016
154 1T9D 1MM 45.9016
155 5WKC TP9 45.9016
156 5WKC AUJ 45.9016
157 1T9D P22 45.9016
158 1T9D PYD 45.9016
159 6DEN FAD 46.0838
160 6DEN G8A 46.0838
161 6DEN TP9 46.0838
162 1YBH P22 47.9053
163 1V5F TPP 47.9053
164 1V5F FAD 47.9053
Pocket No.: 3; Query (leader) PDB : 3EYA; Ligand: FAD; Similar sites found with APoc: 28
This union binding pocket(no: 3) in the query (biounit: 3eya.bio3) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZI7 GLU 1.63934
2 4MXP DB4 1.82927
3 4NAE 1GP 2.22222
4 1GPM CIT 2.47619
5 5NXX 3Q7 2.61194
6 2JK0 ASP 3.07692
7 2JBH 5GP 3.11111
8 2Z48 NGA 3.24074
9 4M3P HCS 3.44828
10 5OLR RAM ADA RAM 3.44828
11 5LKC FUC GLA A2G 3.57143
12 5MTE BB2 4.37956
13 5IFK HPA 4.48718
14 4GLW NMN 4.59016
15 3BY9 SIN 4.61538
16 2WCU FUC 4.69799
17 4FAI PBD 5.15152
18 5ZW3 SAH 5.33333
19 1B09 PC 5.33981
20 5CIC 51R 5.55556
21 1P4A PCP 5.61404
22 3CF6 SP1 5.98802
23 3WMX THR 6.14525
24 4RW3 DKA 6.29139
25 3LN9 FLC 7.91367
26 4AP9 1PS 7.9602
27 6GPC ARG 15.0794
28 3GDH SAH 16.5975
Pocket No.: 4; Query (leader) PDB : 3EYA; Ligand: TDP; Similar sites found with APoc: 26
This union binding pocket(no: 4) in the query (biounit: 3eya.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5BUK FAD 1.77778
2 2BMB PMM 2.20183
3 3ZZH NLG 2.60586
4 3QPB URA 2.83688
5 2EUG URA 3.05677
6 4C2G ALA ALA ALA ALA 3.13901
7 1V84 UDP 3.16206
8 5T96 79J 3.80117
9 5C9P FUC 4.19948
10 1JE1 GMP 4.23729
11 5YB7 ORN 4.37158
12 5YW5 ADE 4.46927
13 3PPQ CHT 4.50161
14 5KQA GSH 4.54545
15 5Z49 RUB 4.60251
16 2OEM 1AE 4.84262
17 5DCH 1YO 5.72917
18 5ETJ IM5 6.17284
19 5IM3 DTP 6.43821
20 2J9D ADP 6.72269
21 2BFR ADP 6.77083
22 2WPB ZZI 9.21053
23 5TED SKM 10.177
24 3O0F AMP 10.299
25 3LF0 ATP 13.1579
26 5WKC F50 45.9016
Pocket No.: 5; Query (leader) PDB : 3EYA; Ligand: FAD; Similar sites found with APoc: 9
This union binding pocket(no: 5) in the query (biounit: 3eya.bio3) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 4CNK MEU 2.04604
2 5L95 AMP 2.5
3 5G6U TRP 2.68199
4 6ECU SAH 2.8481
5 2OEM 1AE 4.84262
6 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 4.87805
7 2HYQ MAN MAN 4.91803
8 1O8B ABF 7.30594
9 5TZO 7V7 7.97872
Pocket No.: 6; Query (leader) PDB : 3EYA; Ligand: TDP; Similar sites found with APoc: 24
This union binding pocket(no: 6) in the query (biounit: 3eya.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1UOU CMU 1.26582
2 1CZA G6P 1.45719
3 1VMK GUN 1.80505
4 2ZZV LAC 1.93906
5 2CI5 HCS 2.11268
6 5XLA SIA 2.18688
7 3LJU IP9 2.33161
8 1H5R G1P 2.38908
9 2B3B GLC 2.5
10 4D86 ADP 2.89157
11 2DUA OXL 3.10345
12 5EW0 3C7 3.84615
13 5N0L ILE 4.40252
14 1A8U BEZ 4.69314
15 2GUE NAG 4.91803
16 2XKO AKG 4.95496
17 4USI AKG 5.84416
18 2P3V SRT 5.85938
19 1VAY AZA 5.92335
20 5N9X THR 6.04915
21 2X2M X2M 7.32484
22 5Y02 MXN 7.47664
23 1TL2 NDG 7.62712
24 2DT9 THR 10.7784
Pocket No.: 7; Query (leader) PDB : 3EYA; Ligand: TDP; Similar sites found with APoc: 35
This union binding pocket(no: 7) in the query (biounit: 3eya.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 6BOC RIM None
2 6BKK 308 None
3 2QS8 MET 1.67464
4 1V1A KDG 1.94175
5 1KSK URA 2.13675
6 1YXM ADE 2.31023
7 3OID TCL 2.32558
8 6BXL SAM 2.6455
9 5BVA FAD 3.17848
10 1Z17 ILE 3.19767
11 4U8P FDA 3.31384
12 4U8P UDP 3.31384
13 5HWK BEZ 3.75
14 3I7S PYR 3.76712
15 5A1S FLC 3.79464
16 2IZ1 ATR 4.00844
17 3I6B KDO 4.44444
18 1KGZ PRP 4.55373
19 2D24 XYS XYS 4.58716
20 2FT0 ACO 4.68085
21 6BVE PGA 4.89796
22 1J6X MET 5
23 5YAS FAC 5.10018
24 5YRG BGC GLC 5.6338
25 5GQI CTP 5.66802
26 3GGF GVD 6.01093
27 2VWT PYR 7.11611
28 4D52 GXL 7.30159
29 4D52 GIV 7.30159
30 3IX1 NFM 7.61589
31 6APL C5P 8.28877
32 1M3U KPL 8.33333
33 3ITJ CIT 10.6509
34 1UI0 URA 11.2195
35 5LWY OLB 20.1681
Pocket No.: 8; Query (leader) PDB : 3EYA; Ligand: FAD; Similar sites found with APoc: 5
This union binding pocket(no: 8) in the query (biounit: 3eya.bio3) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 3DDN HPV 1.32576
2 5E58 CPZ 2.0284
3 6ECT SAM 5.60748
4 2Q8M AMP 6.3253
5 3RK0 AMP 19.8312
Pocket No.: 9; Query (leader) PDB : 3EYA; Ligand: FAD; Similar sites found with APoc: 7
This union binding pocket(no: 9) in the query (biounit: 3eya.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 2QS8 MET 1.67464
2 2VSU ACO 2.18182
3 1SQL GUN 3.42466
4 3I9U DTU 4.18251
5 2H6B 3C4 4.4
6 5IGL BMF 7.09677
7 3UNN MET GLU ASP TPO GLN ALA ILE ASP 7.9646
Pocket No.: 10; Query (leader) PDB : 3EYA; Ligand: FAD; Similar sites found with APoc: 6
This union binding pocket(no: 10) in the query (biounit: 3eya.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 2GJP MAL 1.23711
2 5K8P 6R8 1.64706
3 2W41 ADP 2.00364
4 2D3N GLC GLC GLC 2.06186
5 3V1U NAD 3.8961
6 1ZHS NAG NAG BMA MAN MAN 9.73451
Pocket No.: 11; Query (leader) PDB : 3EYA; Ligand: TDP; Similar sites found with APoc: 26
This union binding pocket(no: 11) in the query (biounit: 3eya.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4LYA ATP 1.25224
2 2PYW SR1 1.66667
3 1JN2 SFP 2.1097
4 1O5O U5P 3.16742
5 4BT5 23B 3.50195
6 4Y9T PA1 4.04624
7 2E5V FAD 4.44915
8 1NWW HPN 4.69799
9 5X3R 7Y3 4.87805
10 1MLD CIT 5.09554
11 5WP5 SAH 5.70265
12 1U6R IOM 5.78947
13 3G4Q MCH 6.16438
14 3QDU CBS CBS 6.29371
15 3QDW NDG 6.29371
16 2OWZ CIT 6.3253
17 3FIU AMP 6.82731
18 1X9I G6Q 7.28477
19 5GWE GWM 7.90123
20 1UGY GLA GLC 10.5263
21 1UGY GLA BGC 10.5263
22 5X2N ALA 11.5556
23 5C2N NAG 12.5
24 1L7N ALF 13.2701
25 5JBX MLI 13.7931
26 1WAP TRP 17.3333
Pocket No.: 12; Query (leader) PDB : 3EYA; Ligand: FAD; Similar sites found with APoc: 6
This union binding pocket(no: 12) in the query (biounit: 3eya.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1YLH PYR 1.82149
2 1RJD SAM 3.29341
3 6F4W FMC 4.29185
4 1G8K MGD 6.01093
5 4AF5 CIT 6.31579
6 1M26 GAL A2G 10.5263
Pocket No.: 13; Query (leader) PDB : 3EYA; Ligand: TDP; Similar sites found with APoc: 10
This union binding pocket(no: 13) in the query (biounit: 3eya.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 2WPF WPF 1.61616
2 5ZYN SIN 1.91083
3 1V1A ADP 1.94175
4 6G47 SIA SIA 2.87081
5 2GNK ATP 5.35714
6 5NM7 GLY 5.6391
7 4CM9 YGL 6.59722
8 1ZEI CRS 7.54717
9 4C2C ALA ALA ALA 7.84753
10 2WOR 2AN 9
Pocket No.: 14; Query (leader) PDB : 3EYA; Ligand: TDP; Similar sites found with APoc: 13
This union binding pocket(no: 14) in the query (biounit: 3eya.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3UG4 AHR 0.992063
2 3G5N PB2 1.47059
3 4RF7 ARG 1.82149
4 1PDZ PGA 2.53456
5 4XJ7 ADN 2.62172
6 2H6T IVA VAL VAL STA ALA STA 2.94118
7 5E70 RCD 3.09654
8 4F4S EFO 3.94737
9 2P9H IPT 5.20446
10 1VBO MAN MAN MAN 5.36913
11 1NJJ GET 11.0588
12 2DTJ THR 11.7978
13 3COB ADP 16.5312
Pocket No.: 15; Query (leader) PDB : 3EYA; Ligand: TDP; Similar sites found with APoc: 9
This union binding pocket(no: 15) in the query (biounit: 3eya.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 2B3B BGC 2.5
2 1W62 PYC 4.34783
3 3HRD NIO 5.625
4 3PNA CMP 6.49351
5 3FGZ BEF 7.8125
6 6CI9 F3V 8.10811
7 1N13 AG2 9.73451
8 2QQC AG2 9.82143
9 4K7O EKZ 10.119
Pocket No.: 16; Query (leader) PDB : 3EYA; Ligand: FAD; Similar sites found with APoc: 12
This union binding pocket(no: 16) in the query (biounit: 3eya.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 2V3V MGD 1.45719
2 4E3Q PMP 1.47992
3 3AI3 SOL 1.90114
4 2VSS ACO 2.17391
5 3I53 SAH 2.40964
6 2GUD BMA 4.91803
7 1VAY AZA 5.92335
8 4A05 CBI 6.31868
9 4XFR CIT 7.02576
10 5YZ2 AMP 7.63889
11 1GXS BEZ 8.22785
12 1Y8O ADP 8.59375
Pocket No.: 17; Query (leader) PDB : 3EYA; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 3eya.bio2) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 3EYA; Ligand: TDP; Similar sites found with APoc: 18
This union binding pocket(no: 18) in the query (biounit: 3eya.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 4KXV TDP DX5 1.45719
2 5U75 SIA GAL NDG FUC 1.78571
3 3AHC TPP 1.82149
4 5B0I BOG 2.36794
5 1BW9 PPY 3.08989
6 1C1X HFA 3.09859
7 1C1D PHE 3.09859
8 4ZNO SUC 3.28358
9 6EK3 OUL 3.61991
10 1BGV GLU 3.64299
11 2IU8 PLM 4.27807
12 4EKV BTN 4.40252
13 1V3S ATP 6.89655
14 5FII PHE 8.82353
15 2UYN 2KT 15.5039
16 1MAI I3P 19.8473
17 6FHQ DE5 20.6897
18 3VY6 BGC BGC 21.9858
Pocket No.: 19; Query (leader) PDB : 3EYA; Ligand: FAD; Similar sites found with APoc: 4
This union binding pocket(no: 19) in the query (biounit: 3eya.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 3GCZ SAM 2.12766
2 2Z48 A2G 3.24074
3 3I6B KDO 4.44444
4 6GIN IR2 4.65116
Pocket No.: 20; Query (leader) PDB : 3EYA; Ligand: TDP; Similar sites found with APoc: 5
This union binding pocket(no: 20) in the query (biounit: 3eya.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 4IP7 FBP 1.65746
2 1JG0 DDT 1.89394
3 4WCX MET 3.125
4 5TH5 MET 4.56274
5 5YRI GLC GLC 5.6338
Pocket No.: 21; Query (leader) PDB : 3EYA; Ligand: FAD; Similar sites found with APoc: 8
This union binding pocket(no: 21) in the query (biounit: 3eya.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 3QDK QDK 1.82149
2 6D6Y SAH 2.67686
3 2HYR BGC GLC 4.91803
4 2NUO BGC 4.91803
5 5ZI9 FLC 5.38462
6 1ONI BEZ 5.7971
7 2PEL LAT 5.9322
8 6DWI HD4 9.01288
Pocket No.: 22; Query (leader) PDB : 3EYA; Ligand: TDP; Similar sites found with APoc: 4
This union binding pocket(no: 22) in the query (biounit: 3eya.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3B6R CRN 2.62467
2 5GOP SUC 3.03688
3 2GUC MAN 4.91803
4 1GXS DKA 8.22785
Pocket No.: 23; Query (leader) PDB : 3EYA; Ligand: FAD; Similar sites found with APoc: 2
This union binding pocket(no: 23) in the query (biounit: 3eya.bio2) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 4G86 BNT 2.8169
2 1TUK PGM 20.8955
Pocket No.: 24; Query (leader) PDB : 3EYA; Ligand: TDP; Similar sites found with APoc: 3
This union binding pocket(no: 24) in the query (biounit: 3eya.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 4BLW AMP 3.11419
2 4BI7 PGA 5.83658
3 2XIG CIT 6.66667
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