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Receptor
PDB id Resolution Class Description Source Keywords
2EZT 2.29 Å EC: 1.2.3.3 PYRUVATE OXIDASE VARIANT F479W IN COMPLEX WITH REACTION INTE 2-HYDROXYETHYL-THIAMIN DIPHOSPHATE LACTOBACILLUS PLANTARUM TPP ENZYME REACTION INTERMEDIATE OXIDOREDUCTASE
Ref.: THE CATALYTIC CYCLE OF A THIAMIN DIPHOSPHATE ENZYME BY CRYOCRYSTALLOGRAPHY. NAT.CHEM.BIOL. V. 2 324 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:1612;
B:1615;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
MG A:1510;
B:1513;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
NA A:1514;
B:1511;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
PO4 A:1512;
B:1515;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
PYR A:1613;
B:1616;
Valid;
Valid;
none;
none;
submit data
88.062 C3 H4 O3 CC(=O...
TDM A:1611;
B:1614;
Valid;
Valid;
none;
none;
submit data
468.359 C14 H22 N4 O8 P2 S Cc1nc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KGD 1.06 Å EC: 1.2.3.3 HIGH-RESOLUTION CRYSTAL STRUCTURE OF PYRUVATE OXIDASE FROM L PLANTARUM IN COMPLEX WITH PHOSPHATE LACTOBACILLUS PLANTARUM CARBANION STRUCTURE ACTIVITY RELATIONSHIP OXIDATION-REDUCTUMPOLUNG THIAMINE DIPHOSPHATE REACTION INTERMEDIATE OXIDOREDUCTASE
Ref.: OBSERVATION OF A STABLE CARBENE AT THE ACTIVE SITE THIAMIN ENZYME. NAT.CHEM.BIOL. V. 9 488 2013
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4KGD - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
2 2EZ8 - PYR C3 H4 O3 CC(=O)C(=O....
3 4FEG - PYR C3 H4 O3 CC(=O)C(=O....
4 1POX - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
5 2EZT - PYR C3 H4 O3 CC(=O)C(=O....
6 1Y9D - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
7 2EZ9 - TDK C15 H26 N4 O11 P3 S Cc1c(sc([n....
8 2EZ4 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
9 1POW - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
10 4FEE - PYR C3 H4 O3 CC(=O)C(=O....
11 2EZU - HTL C14 H21 N4 O8 P2 S Cc1c(sc([n....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4KGD - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
2 2EZ8 - PYR C3 H4 O3 CC(=O)C(=O....
3 4FEG - PYR C3 H4 O3 CC(=O)C(=O....
4 1POX - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
5 2EZT - PYR C3 H4 O3 CC(=O)C(=O....
6 1Y9D - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
7 2EZ9 - TDK C15 H26 N4 O11 P3 S Cc1c(sc([n....
8 2EZ4 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
9 1POW - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
10 4FEE - PYR C3 H4 O3 CC(=O)C(=O....
11 2EZU - HTL C14 H21 N4 O8 P2 S Cc1c(sc([n....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4KGD - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
2 2EZ8 - PYR C3 H4 O3 CC(=O)C(=O....
3 4FEG - PYR C3 H4 O3 CC(=O)C(=O....
4 1POX - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
5 2EZT - PYR C3 H4 O3 CC(=O)C(=O....
6 1Y9D - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
7 2EZ9 - TDK C15 H26 N4 O11 P3 S Cc1c(sc([n....
8 2EZ4 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
9 1POW - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
10 4FEE - PYR C3 H4 O3 CC(=O)C(=O....
11 2EZU - HTL C14 H21 N4 O8 P2 S Cc1c(sc([n....
12 1V5E - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 1V5F - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
14 1V5G - HTL C14 H21 N4 O8 P2 S Cc1c(sc([n....
15 2DJI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
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: PYR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 PYR 1 1
2 ACY 0.636364 0.636364
3 OXD 0.545455 0.642857
4 F50 0.428571 0.6
5 2KT 0.411765 0.733333
6 AAE 0.411765 0.625
7 KIV 0.411765 0.785714
Ligand no: 3; Ligand: TDM; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 TDM 1 1
2 TDN 0.814815 0.973684
3 THD 0.804878 0.936709
4 8N9 0.804878 0.936709
5 TD7 0.758621 0.948718
6 TZD 0.716049 0.910256
7 8EL 0.58427 0.922078
8 8FL 0.58427 0.922078
9 TPU 0.462366 0.777778
10 TPW 0.457447 0.826667
11 8EF 0.44898 0.860759
12 TPP 0.443299 0.894737
13 1TP 0.438095 0.875
14 G8G 0.4375 0.833333
15 HTL 0.435644 0.909091
16 PYI 0.428571 0.792208
17 S1T 0.425743 0.84
18 R1T 0.425743 0.84
19 TDW 0.421569 0.921053
20 TOG 0.416667 0.875
21 THY 0.415094 0.897436
22 1U0 0.413462 0.797468
23 TDL 0.411215 0.853659
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KGD; Ligand: TDP; Similar sites found with APoc: 326
This union binding pocket(no: 1) in the query (biounit: 4kgd.bio1) has 93 residues
No: Leader PDB Ligand Sequence Similarity
1 2FKA BEF None
2 3X0D SAH 0.995025
3 1PJS NAD 1.09409
4 1P7T PYR 1.16086
5 1D8C GLV 1.16086
6 3QOX SAH 1.17371
7 5WP4 SAH 1.42566
8 5UR0 NAD 1.43266
9 1OFL ASG GCD 1.4553
10 1V59 NAD 1.46444
11 3PT9 SAH 1.49254
12 5F8F SFG 1.59151
13 4YMH SAH 1.66667
14 2DPM SAM 1.76056
15 2EFJ SAH 1.82292
16 1SQF SAM 1.8648
17 3ABI NAD 1.91781
18 3CIF NAD 1.94986
19 4ONQ SFG 1.96078
20 5X62 SAH 1.97044
21 2EJU SAH 2.1164
22 2EG5 SAH 2.15054
23 5KVA SAM 2.15827
24 5M58 SAH 2.17391
25 4X1T UDP 2.20588
26 6ECU SAH 2.21519
27 6ECW SAH 2.22222
28 3WV8 ATP 2.29358
29 2O1S TDP 2.32172
30 4BUZ NAD 2.43902
31 1YC5 NCA 2.43902
32 4BUZ OCZ 2.43902
33 4BUZ OAD 2.43902
34 3GWZ SAH 2.43902
35 1KPG SAH 2.43902
36 1KPH SAH 2.43902
37 2G50 ALA 2.45283
38 1MV8 NAD 2.52294
39 1MUU NAD 2.52294
40 1X87 NAD 2.54083
41 5MGZ SAH 2.54237
42 3VC1 SAH 2.5641
43 5E72 SAM 2.60116
44 2JHP SAH 2.6534
45 3L9W GSH 2.66344
46 3L9W AMP 2.66344
47 1FP1 SAH 2.68817
48 1DSS NAD 2.7027
49 3VSE SAH 2.76382
50 4KRI SAH 2.77136
51 3OFK SAH 2.77778
52 3OJO NAD 2.78422
53 6GFK SAH 2.78884
54 1WG8 SAM 2.80702
55 3GEG NAD 2.83401
56 3GCZ SAM 2.83688
57 3ICT ADP 2.89116
58 3ICS ADP 2.89116
59 1WY7 SAH 2.89855
60 5HWK BEZ 2.91667
61 4B2D SER 2.91971
62 1KYQ NAD 2.91971
63 3FXU TSU 2.95082
64 3LCC SAH 2.97872
65 6HOY AR6 2.98013
66 6HOY TSN 2.98013
67 3IHG FAD 2.99065
68 1P1C SAH 3.01508
69 3ZG6 APR 3.04054
70 5WP5 SAH 3.05499
71 5DNK SAH 3.06859
72 3I7S PYR 3.08219
73 3DUW SAH 3.13901
74 4LWP SAH 3.15091
75 5OCQ CIT 3.15789
76 1P31 EPU 3.15789
77 1Y8Q ATP 3.17919
78 4JJF FE9 3.19767
79 1K7T NAG GAL 3.22581
80 5MB4 NAG 3.2419
81 3MAG SAH 3.25733
82 2C42 TPP 3.31675
83 2C42 PYR 3.31675
84 3A25 SAM 3.32226
85 5WBF LAC 3.33333
86 2HNK SAH 3.34728
87 3EXH TPP 3.40314
88 4NV0 MG7 3.44828
89 2BZG SAH 3.44828
90 3BGD SAH 3.46154
91 3H9E NAD 3.46821
92 4C4A SAH 3.48259
93 3AHC TPP 3.48259
94 1L1E SAH 3.48432
95 5KOK SAH 3.52645
96 3V1Y NAD 3.56083
97 2OZL TPP 3.56164
98 4KIB SAH 3.64146
99 1Z3C SA8 3.69128
100 4WBD CIT 3.69686
101 3MCT SAH 3.7037
102 4YT4 FE9 3.73333
103 1CDO NAD 3.74332
104 3TLJ SAH 3.75335
105 3G2O SAM 3.81426
106 5E9W SAH 3.84615
107 5E8J SAH 3.84615
108 4TQK NAG 3.94089
109 5HJM MTA 3.97727
110 1N2X SAM 3.98671
111 4YAC NAI 4.0404
112 3DVA TPW 4.06504
113 4DMG SAM 4.07125
114 1W85 TDP 4.07609
115 1G55 SAH 4.08163
116 2AOT SAH 4.10959
117 5JGL SAM 4.15225
118 1TPY SAH 4.18118
119 1ZGA SAH 4.20168
120 3GU3 SAH 4.22535
121 4DCM SAM 4.26667
122 1XTP SAI 4.33071
123 4L2I FAD 4.33526
124 1S7G NAD 4.34783
125 1S7G APR 4.34783
126 2IF8 ADP 4.40771
127 1QS0 TDP 4.43787
128 3T7S SAM 4.47761
129 1ITZ TPP 4.47761
130 3RFV 15L 4.49438
131 3RFV NAI 4.49438
132 1IM8 SAI 4.5082
133 1L5Y BEF 4.51613
134 4NEC SAH 4.54545
135 3DXY SAM 4.58716
136 1G60 SAM 4.61538
137 5A3B APR 4.62046
138 3TKA SAM 4.64345
139 5MPT SAH 4.64345
140 4OBW SAM 4.66926
141 5W7K SAH 4.80769
142 5ZZ6 ADP 4.80769
143 4BLW SAH 4.84429
144 2HMT NAI 4.86111
145 1I1N SAH 4.86726
146 5N5D SAM 4.86726
147 2VDV SAM 4.87805
148 4I5I NAD 4.87805
149 2GUE NAG 4.91803
150 2GUD BMA 4.91803
151 2HYQ MAN MAN 4.91803
152 2NU5 NAG 4.91803
153 1QAN SAH 4.91803
154 2NUO BGC 4.91803
155 1KYZ SAH 4.93151
156 5ZIC BMA Z4Y NAG 4.97132
157 1EJ0 SAM 5
158 3ITJ CIT 5.02959
159 2FK8 SAM 5.03145
160 1BW9 NAD 5.05618
161 1XDS SAM 5.08021
162 3A4T SFG 5.10949
163 5XNC MTA 5.12129
164 3LST SAH 5.17241
165 2QQF A1R 5.19481
166 2OD9 A1R NCA 5.19481
167 1SZD APR 5.38721
168 3H2B SAH 5.41872
169 3VYW SAM 5.51948
170 5YF1 SFG 5.52486
171 4M37 SAH 5.53936
172 4M38 SAH 5.53936
173 4RDH AMP 5.55556
174 4RDI ATP 5.55556
175 1OLS TDP 5.55556
176 2VT3 ATP 5.5814
177 5FA8 SAM 5.59006
178 2O07 MTA 5.59211
179 2O07 SPD 5.59211
180 1RJW ETF 5.60472
181 2BZ1 TAU 5.61225
182 3G89 SAM 5.62249
183 5HP8 PYR 5.64516
184 1ZEM NAD 5.72519
185 1R18 SAH 5.72687
186 5ESO ISC 5.74913
187 5ESO TDP 5.74913
188 5ZW3 SAH 5.77778
189 4D79 ATP 5.7971
190 1TZD ADP 5.81818
191 2UVO NDG 5.84795
192 2UVO NAG 5.84795
193 4AML GYU 5.84795
194 6ECT SAM 5.919
195 4POO SAM 6
196 5A96 GTP 6.0241
197 1OBB NAD 6.04167
198 1LVL NAD 6.11354
199 5E1M SAH 6.22407
200 3FUU ADN 6.27306
201 3C6K SPD 6.29921
202 3C6K MTA 6.29921
203 1NV8 MEQ 6.33803
204 5EXE 5SR 6.36943
205 1PL6 NAD 6.46067
206 2PT9 S4M 6.54206
207 2PT9 2MH 6.54206
208 3EVG SAH 6.54545
209 4IWN GEK 6.55022
210 6F5Z SAH 6.55738
211 2P41 SAH 6.55738
212 2PWY SAH 6.58915
213 3RIY NAD 6.59341
214 4FZV SAM 6.69456
215 3C3Y SAH 6.75105
216 1JQ3 AAT 6.75676
217 5BSZ SAH 6.8
218 6EQS BV8 6.90909
219 2IYF UDP 6.98795
220 1UAY ADN 7.02479
221 5D4V SAH 7.08955
222 3BXO SAM 7.11297
223 3GDH SAH 7.13101
224 3JUC PCA 7.18954
225 1JG3 ADN 7.23404
226 3U31 NAD 7.24138
227 5LOG SAH 7.29614
228 1ZQ9 SAM 7.36842
229 2I7C AAT 7.42049
230 5TZO 7V7 7.44681
231 3MB5 SAM 7.45098
232 5L95 AMP 7.5
233 4Y9D NAI 7.54098
234 1YXM ADE 7.59076
235 3CBG SAH 7.75862
236 2X7J TPP 7.79436
237 5B48 TDN 7.79436
238 6BQ6 TER 7.85498
239 3H8V ATP 7.87671
240 6H5E ANP 8.00915
241 4KRG SAH 8.15451
242 5W7M SAH 8.33333
243 2ZFU SAH 8.37209
244 6FDF SAH 8.38323
245 1M2K APR 8.43373
246 4AZW SAM 8.49257
247 1LSS NAD 8.57143
248 6FTB M0E 8.57143
249 5FA5 MTA 8.71935
250 1L3I SAH 8.85417
251 1ZPD DPX 8.97887
252 5B47 TPP 9.21053
253 5B47 PYR 9.21053
254 4GQB 0XU 9.30233
255 5GQI CTP 9.31174
256 5OJ7 AR6 9.44056
257 3JWH SAH 9.67742
258 2UYQ SAM 9.67742
259 5BW4 SAM 9.73783
260 5GM1 SAH 9.76431
261 4II2 ATP 9.81595
262 1I9G SAM 10
263 2YVJ NAI 10.0917
264 4G86 BNT 10.2113
265 1O97 FAD 10.2273
266 1O97 AMP 10.2273
267 2PXX SAH 10.2326
268 3VPD BUA 10.6762
269 1F3L SAH 10.9034
270 3A27 SAM 11.0294
271 4EIL NDP 11.1307
272 5ERG SAM 11.2272
273 2ZIF SAM 12.1212
274 3GRU AMP 12.2034
275 3SSO SAH 12.4105
276 1UMD TDP COI 12.5341
277 2NXE SAM 12.9921
278 1DJL NAP 13.5266
279 1EFV FAD 13.7255
280 1EFV AMP 13.7255
281 6E8I PTR 14.2012
282 4QTU SAM 14.9038
283 2YX1 SFG 15.1786
284 1D4O NAP 15.2174
285 1PNO NAP 16.1111
286 3DMH SAM 16.273
287 4KXQ APR 16.6667
288 2OOR TXP 16.6667
289 4RL4 PPV 17.9245
290 5LW0 AR6 20.7792
291 3EGI ADP 20.8738
292 3HWW AKG 21.393
293 1G8K MGD 24.812
294 2VBF TPP 35.4386
295 2VK4 TPP 35.7016
296 1QPB TPP 36.0568
297 1QPB PYM 36.0568
298 1YBH P22 38.4746
299 1YBH FAD 38.4746
300 2Q28 TPP 38.6525
301 2Q28 ADP 38.6525
302 2NXW TPP 39.469
303 4D5G TPP 39.9668
304 4D5G FAD 39.9668
305 2C31 TZD 40.1408
306 2C31 ADP 40.1408
307 6DEN FAD 40.796
308 6DEN G8A 40.796
309 6DEN TP9 40.796
310 3IAE D7K 41.7544
311 1OZH HE3 42.2261
312 2UZ1 TPP 42.2735
313 3FSJ D7K 42.4242
314 2IHT TPP 42.9319
315 1UPA TPP 42.9319
316 1T9D P22 43.4494
317 5WKC TP9 43.4494
318 5WKC AUJ 43.4494
319 1T9D FAD 43.4494
320 5WKC FAD 43.4494
321 1T9D P25 43.4494
322 1T9D 1MM 43.4494
323 1T9D PYD 43.4494
324 2IHU TP9 44.5026
325 4RJK TPP 45.0088
326 4RJK TDL 45.0088
Pocket No.: 2; Query (leader) PDB : 4KGD; Ligand: TDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4kgd.bio1) has 93 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4KGD; Ligand: FAD; Similar sites found with APoc: 331
This union binding pocket(no: 3) in the query (biounit: 4kgd.bio1) has 94 residues
No: Leader PDB Ligand Sequence Similarity
1 2FKA BEF None
2 3X0D SAH 0.995025
3 1PJS NAD 1.09409
4 1P7T PYR 1.16086
5 1D8C GLV 1.16086
6 3QOX SAH 1.17371
7 5WP4 SAH 1.42566
8 5UR0 NAD 1.43266
9 1OFL ASG GCD 1.4553
10 1V59 NAD 1.46444
11 3PT9 SAH 1.49254
12 4DE3 DN8 1.52091
13 5F8F SFG 1.59151
14 4YMH SAH 1.66667
15 2DPM SAM 1.76056
16 2EFJ SAH 1.82292
17 1SQF SAM 1.8648
18 3ABI NAD 1.91781
19 1UP7 NAD 1.91847
20 3CIF NAD 1.94986
21 4ONQ SFG 1.96078
22 5X62 SAH 1.97044
23 3KB6 NAD 2.09581
24 2EJU SAH 2.1164
25 2EG5 SAH 2.15054
26 5KVA SAM 2.15827
27 5M58 SAH 2.17391
28 4X1T UDP 2.20588
29 6ECU SAH 2.21519
30 6ECW SAH 2.22222
31 3WV8 ATP 2.29358
32 2O1S TDP 2.32172
33 4BUZ NAD 2.43902
34 1YC5 NCA 2.43902
35 4BUZ OCZ 2.43902
36 4BUZ OAD 2.43902
37 1KPH SAH 2.43902
38 1KPG SAH 2.43902
39 2G50 ALA 2.45283
40 3WMX NAD 2.48756
41 1MV8 NAD 2.52294
42 1MUU NAD 2.52294
43 1X87 NAD 2.54083
44 5MGZ SAH 2.54237
45 3VC1 SAH 2.5641
46 5E72 SAM 2.60116
47 2JHP SAH 2.6534
48 3L9W GSH 2.66344
49 3L9W AMP 2.66344
50 1FP1 SAH 2.68817
51 1DSS NAD 2.7027
52 3VSE SAH 2.76382
53 4KRI SAH 2.77136
54 3OFK SAH 2.77778
55 3OJO NAD 2.78422
56 6GFK SAH 2.78884
57 1WG8 SAM 2.80702
58 3GEG NAD 2.83401
59 3GCZ SAM 2.83688
60 3ICT ADP 2.89116
61 3ICS ADP 2.89116
62 1WY7 SAH 2.89855
63 5HWK BEZ 2.91667
64 4B2D SER 2.91971
65 1KYQ NAD 2.91971
66 3LCC SAH 2.97872
67 6HOY AR6 2.98013
68 6HOY TSN 2.98013
69 5JE8 NAD 2.98013
70 3IHG FAD 2.99065
71 1P1C SAH 3.01508
72 3ZG6 APR 3.04054
73 5WP5 SAH 3.05499
74 5DNK SAH 3.06859
75 3I7S PYR 3.08219
76 3DUW SAH 3.13901
77 4LWP SAH 3.15091
78 5OCQ CIT 3.15789
79 1P31 EPU 3.15789
80 1Y8Q ATP 3.17919
81 4JJF FE9 3.19767
82 1K7T NAG GAL 3.22581
83 5MB4 NAG 3.2419
84 3MAG SAH 3.25733
85 2C42 TPP 3.31675
86 2C42 PYR 3.31675
87 3A25 SAM 3.32226
88 2HNK SAH 3.34728
89 3EXH TPP 3.40314
90 4NV0 MG7 3.44828
91 2BZG SAH 3.44828
92 3BGD SAH 3.46154
93 3H9E NAD 3.46821
94 4C4A SAH 3.48259
95 3AHC TPP 3.48259
96 1L1E SAH 3.48432
97 5KOK SAH 3.52645
98 3V1Y NAD 3.56083
99 2OZL TPP 3.56164
100 4KIB SAH 3.64146
101 4WBD CIT 3.69686
102 3MCT SAH 3.7037
103 4YT4 FE9 3.73333
104 1CDO NAD 3.74332
105 3TLJ SAH 3.75335
106 3G2O SAM 3.81426
107 5E9W SAH 3.84615
108 5E8J SAH 3.84615
109 4TQK NAG 3.94089
110 5HJM MTA 3.97727
111 1N2X SAM 3.98671
112 4YAC NAI 4.0404
113 3DVA TPW 4.06504
114 4DMG SAM 4.07125
115 1W85 TDP 4.07609
116 1G55 SAH 4.08163
117 2AOT SAH 4.10959
118 5JGL SAM 4.15225
119 1TPY SAH 4.18118
120 1ZGA SAH 4.20168
121 3GU3 SAH 4.22535
122 4DCM SAM 4.26667
123 4QB6 GCU XYP 4.26829
124 1XTP SAI 4.33071
125 4L2I FAD 4.33526
126 1S7G NAD 4.34783
127 1S7G APR 4.34783
128 2IF8 ADP 4.40771
129 1QS0 TDP 4.43787
130 3T7S SAM 4.47761
131 1ITZ TPP 4.47761
132 3RFV 15L 4.49438
133 3RFV NAI 4.49438
134 1IM8 SAI 4.5082
135 1L5Y BEF 4.51613
136 4NEC SAH 4.54545
137 3DXY SAM 4.58716
138 1G60 SAM 4.61538
139 5A3B APR 4.62046
140 3TKA SAM 4.64345
141 5MPT SAH 4.64345
142 4OBW SAM 4.66926
143 5W7K SAH 4.80769
144 5ZZ6 ADP 4.80769
145 4BLW SAH 4.84429
146 2HMT NAI 4.86111
147 1I1N SAH 4.86726
148 5N5D SAM 4.86726
149 2VDV SAM 4.87805
150 4I5I NAD 4.87805
151 2GUE NAG 4.91803
152 2GUD BMA 4.91803
153 2HYQ MAN MAN 4.91803
154 2NU5 NAG 4.91803
155 1QAN SAH 4.91803
156 2NUO BGC 4.91803
157 1KYZ SAH 4.93151
158 5ZIC BMA Z4Y NAG 4.97132
159 1EJ0 SAM 5
160 3ITJ CIT 5.02959
161 2FK8 SAM 5.03145
162 1BW9 NAD 5.05618
163 1XDS SAM 5.08021
164 3A4T SFG 5.10949
165 5XNC MTA 5.12129
166 3LST SAH 5.17241
167 2QQF A1R 5.19481
168 2OD9 A1R NCA 5.19481
169 1SZD APR 5.38721
170 3H2B SAH 5.41872
171 3VYW SAM 5.51948
172 5YF1 SFG 5.52486
173 5YF1 8V0 5.52486
174 4M37 SAH 5.53936
175 4M38 SAH 5.53936
176 4RDH AMP 5.55556
177 4RDI ATP 5.55556
178 1OLS TDP 5.55556
179 2VT3 ATP 5.5814
180 5FA8 SAM 5.59006
181 2O07 MTA 5.59211
182 2O07 SPD 5.59211
183 1RJW ETF 5.60472
184 2BZ1 TAU 5.61225
185 3G89 SAM 5.62249
186 5HP8 PYR 5.64516
187 1ZEM NAD 5.72519
188 1R18 SAH 5.72687
189 5ESO ISC 5.74913
190 5ESO TDP 5.74913
191 5ZW3 SAH 5.77778
192 4D79 ATP 5.7971
193 1R27 MGD 5.80431
194 1TZD ADP 5.81818
195 2UVO NDG 5.84795
196 2UVO NAG 5.84795
197 4AML GYU 5.84795
198 6ECT SAM 5.919
199 4POO SAM 6
200 5A96 GTP 6.0241
201 1OBB NAD 6.04167
202 1LVL NAD 6.11354
203 5E1M SAH 6.22407
204 3FUU ADN 6.27306
205 3C6K SPD 6.29921
206 3C6K MTA 6.29921
207 1NV8 MEQ 6.33803
208 1NV8 SAM 6.33803
209 5EXE 5SR 6.36943
210 1PL6 NAD 6.46067
211 2PT9 S4M 6.54206
212 2PT9 2MH 6.54206
213 3EVG SAH 6.54545
214 4IWN GEK 6.55022
215 6F5Z SAH 6.55738
216 2P41 SAH 6.55738
217 2PWY SAH 6.58915
218 3RIY NAD 6.59341
219 4FZV SAM 6.69456
220 2YY7 NAD 6.73077
221 3C3Y SAH 6.75105
222 1JQ3 AAT 6.75676
223 5BSZ SAH 6.8
224 6EQS BV8 6.90909
225 1UAY ADN 7.02479
226 5D4V SAH 7.08955
227 3BXO SAM 7.11297
228 3GDH SAH 7.13101
229 3JUC PCA 7.18954
230 1JG3 ADN 7.23404
231 3U31 NAD 7.24138
232 5LOG SAH 7.29614
233 1ZQ9 SAM 7.36842
234 2I7C AAT 7.42049
235 5TZO 7V7 7.44681
236 3MB5 SAM 7.45098
237 5L95 AMP 7.5
238 4Y9D NAI 7.54098
239 1YXM ADE 7.59076
240 3CBG SAH 7.75862
241 2X7J TPP 7.79436
242 5B48 TDN 7.79436
243 6BQ6 TER 7.85498
244 3H8V ATP 7.87671
245 4KRG SAH 8.15451
246 5W7M SAH 8.33333
247 2ZFU SAH 8.37209
248 6FDF SAH 8.38323
249 1M2K APR 8.43373
250 4AZW SAM 8.49257
251 1LSS NAD 8.57143
252 6FTB M0E 8.57143
253 5FA5 MTA 8.71935
254 1L3I SAH 8.85417
255 1ZPD DPX 8.97887
256 5B47 TPP 9.21053
257 5B47 PYR 9.21053
258 4GQB 0XU 9.30233
259 5GQI CTP 9.31174
260 5OJ7 AR6 9.44056
261 3JWH SAH 9.67742
262 5BW4 SAM 9.73783
263 5GM1 SAH 9.76431
264 4II2 ATP 9.81595
265 1I9G SAM 10
266 4OM8 NAD 10.0324
267 2YVJ NAI 10.0917
268 4G86 BNT 10.2113
269 1O97 FAD 10.2273
270 1O97 AMP 10.2273
271 2PXX SAH 10.2326
272 3VPD BUA 10.6762
273 1F3L SAH 10.9034
274 3A27 SAM 11.0294
275 4EIL NDP 11.1307
276 5ERG SAM 11.2272
277 2ZIF SAM 12.1212
278 3GRU AMP 12.2034
279 3SSO SAH 12.4105
280 1UMD TDP COI 12.5341
281 2NXE SAM 12.9921
282 1DJL NAP 13.5266
283 1EFV FAD 13.7255
284 1EFV AMP 13.7255
285 6E8I PTR 14.2012
286 6DUB SAH 14.8649
287 4QTU SAM 14.9038
288 2YX1 SFG 15.1786
289 1D4O NAP 15.2174
290 1PNO NAP 16.1111
291 3DMH SAM 16.273
292 4KXQ APR 16.6667
293 2OOR TXP 16.6667
294 4RL4 PPV 17.9245
295 5LW0 AR6 20.7792
296 3EGI ADP 20.8738
297 3HWW AKG 21.393
298 1G8K MGD 24.812
299 2VBF TPP 35.4386
300 2VK4 TPP 35.7016
301 1QPB TPP 36.0568
302 1QPB PYM 36.0568
303 1YBH P22 38.4746
304 1YBH FAD 38.4746
305 2Q28 TPP 38.6525
306 2Q28 ADP 38.6525
307 2NXW TPP 39.469
308 4D5G FAD 39.9668
309 4D5G TPP 39.9668
310 2C31 ADP 40.1408
311 2C31 TZD 40.1408
312 6DEN G8A 40.796
313 6DEN TP9 40.796
314 6DEN FAD 40.796
315 3IAE D7K 41.7544
316 1OZH HE3 42.2261
317 2UZ1 TPP 42.2735
318 3FSJ D7K 42.4242
319 2IHT TPP 42.9319
320 1UPA TPP 42.9319
321 1T9D P22 43.4494
322 5WKC TP9 43.4494
323 5WKC AUJ 43.4494
324 1T9D FAD 43.4494
325 5WKC FAD 43.4494
326 1T9D P25 43.4494
327 1T9D 1MM 43.4494
328 1T9D PYD 43.4494
329 2IHU TP9 44.5026
330 4RJK TPP 45.0088
331 4RJK TDL 45.0088
Pocket No.: 4; Query (leader) PDB : 4KGD; 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: 4) in the query (biounit: 4kgd.bio1) has 94 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4KGD; Ligand: TDP; Similar sites found with APoc: 26
This union binding pocket(no: 5) in the query (biounit: 4kgd.bio1) has 92 residues
No: Leader PDB Ligand Sequence Similarity
1 3DM0 GLC GLC 1.16086
2 1UP7 NAD 1.91847
3 5ULP KB1 2.61194
4 6CB2 OLC 2.73038
5 5JE8 NAD 2.98013
6 1K7U NAG NAG 3.22581
7 1RL4 BRR 3.7234
8 3PNQ 2HA 4.20168
9 4JGP PYR 4.60829
10 4PIO AVI 4.64396
11 2PX6 DH9 4.74684
12 4P83 U5P 4.94506
13 4XR8 MAL 5.29801
14 1QZZ SAM 5.34759
15 1R27 MGD 5.80431
16 1VMK GUN 6.13718
17 1NV8 SAM 6.33803
18 3VY6 BGC BGC 6.38298
19 5Z5I XYP 6.62983
20 5OVK NDP 6.64062
21 4N14 WR7 7.96178
22 1UZN NAP 8.09717
23 3RKR NAP 9.54198
24 2ZTS ADP 9.56175
25 1PVS 7HP 12.0567
26 2WA2 SAM 17.7536
Pocket No.: 6; Query (leader) PDB : 4KGD; Ligand: TDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4kgd.bio1) has 92 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4KGD; Ligand: FAD; Similar sites found with APoc: 26
This union binding pocket(no: 7) in the query (biounit: 4kgd.bio1) has 92 residues
No: Leader PDB Ligand Sequence Similarity
1 3DM0 GLC GLC 1.16086
2 3GWZ SAH 2.43902
3 5ULP KB1 2.61194
4 6CB2 OLC 2.73038
5 3FXU TSU 2.95082
6 1K7U NAG NAG 3.22581
7 5WBF LAC 3.33333
8 1RL4 BRR 3.7234
9 3PNQ 2HA 4.20168
10 4JGP PYR 4.60829
11 4PIO AVI 4.64396
12 2PX6 DH9 4.74684
13 4P83 U5P 4.94506
14 4XR8 MAL 5.29801
15 1QZZ SAM 5.34759
16 1VMK GUN 6.13718
17 3VY6 BGC BGC 6.38298
18 5Z5I XYP 6.62983
19 5OVK NDP 6.64062
20 2IYF UDP 6.98795
21 4N14 WR7 7.96178
22 1UZN NAP 8.09717
23 3RKR NAP 9.54198
24 2ZTS ADP 9.56175
25 1PVS 7HP 12.0567
26 2WA2 SAM 17.7536
Pocket No.: 8; Query (leader) PDB : 4KGD; 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: 8) in the query (biounit: 4kgd.bio1) has 92 residues
No: Leader PDB Ligand Sequence Similarity
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