Receptor
PDB id Resolution Class Description Source Keywords
3GJB 2.2 Å NON-ENZYME: OTHER CYTC3 WITH FE(II) AND ALPHA-KETOGLUTARATE STREPTOMYCES SP. CYTC3 HALOGENASE BETA BARREL BIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL ANALYSIS OF AN OPEN ACTIVE SITE CONFORMA NONHEME IRON HALOGENASE CYTC3 J.AM.CHEM.SOC. V. 131 4872 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:323;
A:324;
A:325;
B:322;
B:323;
B:324;
B:325;
B:326;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
AKG A:321;
A:322;
B:321;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
FE2 A:320;
B:320;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+2...
SO4 A:326;
B:327;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GJB 2.2 Å NON-ENZYME: OTHER CYTC3 WITH FE(II) AND ALPHA-KETOGLUTARATE STREPTOMYCES SP. CYTC3 HALOGENASE BETA BARREL BIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL ANALYSIS OF AN OPEN ACTIVE SITE CONFORMA NONHEME IRON HALOGENASE CYTC3 J.AM.CHEM.SOC. V. 131 4872 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3GJB - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3GJB - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 2FCV - AKG C5 H6 O5 C(CC(=O)O)....
2 2FCU - AKG C5 H6 O5 C(CC(=O)O)....
3 2FCT - AKG C5 H6 O5 C(CC(=O)O)....
4 3GJB - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 OOG 0.5 0.947368
3 69O 0.458333 0.714286
4 2IT 0.423077 0.615385
5 SHF 0.416667 0.666667
6 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GJB; Ligand: AKG; Similar sites found: 11
This union binding pocket(no: 1) in the query (biounit: 3gjb.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5KKA 6V0 0.04356 0.40412 0.961538
2 2X1E X1E 0.01198 0.40171 2.19436
3 3T1A 5MA 0.02287 0.40253 2.50784
4 5F1R 42O 0.02318 0.41155 2.53165
5 2F5T MAL 0.04175 0.41371 3.00429
6 1WY7 SAH 0.02224 0.40812 4.34783
7 3ZJ0 ACO 0.01325 0.42289 4.36893
8 3IHZ FK5 0.04544 0.40312 5.55556
9 4C0R GDS 0.02078 0.41118 8.87097
10 5HUA FK5 0.006789 0.41596 9.56522
11 5HWC FK5 0.01424 0.40018 9.56522
Pocket No.: 2; Query (leader) PDB : 3GJB; Ligand: AKG; 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: 3gjb.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3GJB; Ligand: AKG; Similar sites found: 2
This union binding pocket(no: 3) in the query (biounit: 3gjb.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5NGL NOJ BGC 0.006671 0.40646 2.50784
2 4CYI ATP 0.02271 0.40268 2.50784
Pocket No.: 4; Query (leader) PDB : 3GJB; Ligand: AKG; Similar sites found: 641
This union binding pocket(no: 4) in the query (biounit: 3gjb.bio3) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VKL MLT 0.002985 0.4523 None
2 1UO5 PIH 0.0228 0.41583 None
3 3ZZS TRP 0.01337 0.41218 None
4 1Q3Q ANP 0.006525 0.44347 0.940439
5 1FL2 FAD 0.02187 0.40773 0.967742
6 3O03 NAP 0.008191 0.41143 1.03093
7 1KDK DHT 0.0001488 0.47635 1.12994
8 2WQP WQP 0.00006564 0.49883 1.25392
9 2Q1S NAI 0.006694 0.43327 1.25392
10 3LZW NAP 0.0246 0.41763 1.25392
11 3LZW FAD 0.01289 0.41596 1.25392
12 1ML4 PAL 0.007816 0.40855 1.2987
13 2YBQ UP2 0.004933 0.43205 1.36986
14 2YBQ SAH 0.005306 0.40947 1.36986
15 4C0X FMN 0.002895 0.43029 1.47783
16 4C0X AQN 0.0172 0.40297 1.47783
17 1MDZ DCS 0.004698 0.42949 1.5674
18 1MDZ PLP 0.004746 0.42808 1.5674
19 1Z44 NPO 0.01504 0.42547 1.5674
20 1QW9 KHP 0.004119 0.42239 1.5674
21 4EPL JAI 0.003316 0.41156 1.5674
22 1Z48 FMN 0.004306 0.40708 1.5674
23 2QF7 AGS 0.01231 0.40401 1.5674
24 1L1Q 9DA 0.00006701 0.48598 1.6129
25 1M1B SPV 0.0003137 0.42374 1.69492
26 1RZM E4P 0.0003241 0.47003 1.88088
27 2V6O FAD 0.003051 0.46799 1.88088
28 9LDT NAD 0.0005707 0.46589 1.88088
29 4W6Z 8ID 0.001973 0.44929 1.88088
30 4HA6 FAD 0.00312 0.44798 1.88088
31 1PFK ADP 0.0005007 0.44395 1.88088
32 1T26 GBD 0.01721 0.44037 1.88088
33 1T26 NAI 0.01721 0.44037 1.88088
34 3NKS ACJ 0.001052 0.43124 1.88088
35 1CL2 PPG 0.001583 0.43066 1.88088
36 1E7S NAP 0.004395 0.4295 1.88088
37 1GR0 NAD 0.02247 0.42709 1.88088
38 1M7Y PPG 0.004837 0.42516 1.88088
39 1H2B NAJ 0.008341 0.4188 1.88088
40 1SOW NAD 0.007998 0.41839 1.88088
41 2IZ1 ATR 0.003779 0.4164 1.88088
42 3AYS CT3 0.002298 0.41048 1.88088
43 2GSD NAD 0.01754 0.40706 1.88088
44 3NKS FAD 0.02281 0.4041 1.88088
45 1GSA ADP 0.000474 0.4883 1.89873
46 1GSA GSH 0.006782 0.43115 1.89873
47 4U9W COA 0.007365 0.4028 1.93237
48 2X61 NGA GAL SIA 0.01309 0.4296 1.93798
49 2X61 CH 0.01511 0.41389 1.93798
50 2QQF A1R 0.01181 0.40337 1.94805
51 2NW9 FT6 0.001302 0.40198 1.96078
52 1UJ2 C5P 0.001987 0.43553 1.98413
53 1UJ2 ADP 0.005561 0.41698 1.98413
54 1KW6 BPY 0.012 0.43401 2.05479
55 1JUV NDP 0.006591 0.41537 2.07254
56 1A27 NAP 0.001563 0.44592 2.07612
57 1O68 KIV 0.0007776 0.41843 2.18182
58 4GYW UDP 0.0015 0.44942 2.19436
59 2ZB3 NDP 0.001292 0.44797 2.19436
60 4A6D SAM 0.0007897 0.44283 2.19436
61 1ME8 RVP 0.0119 0.44231 2.19436
62 3ZY6 GFB 0.001005 0.44061 2.19436
63 1UOU CMU 0.0005383 0.4402 2.19436
64 2HFK E4H 0.0002168 0.43983 2.19436
65 2Q8M FBP 0.0009651 0.43271 2.19436
66 2OWZ F6P 0.001248 0.43059 2.19436
67 3LPF Z77 0.003152 0.42875 2.19436
68 1UBY DMA 0.001394 0.42868 2.19436
69 4NTD FAD 0.007614 0.42597 2.19436
70 1YBH FAD 0.008119 0.42575 2.19436
71 2ZJ5 ADP 0.002165 0.42022 2.19436
72 4CMF PXG 0.01719 0.41987 2.19436
73 4KQI NIO 0.007057 0.41948 2.19436
74 4KQI RBZ 0.007057 0.41948 2.19436
75 1D3V ABH 0.004964 0.41903 2.19436
76 1RM4 NDP 0.02403 0.41875 2.19436
77 2AEB ABH 0.008953 0.41805 2.19436
78 1YBH P22 0.001799 0.41457 2.19436
79 3ANK NG6 GCD 0.002163 0.41149 2.19436
80 2YVF NAD 0.04161 0.40884 2.19436
81 2YVF FAD 0.04254 0.40779 2.19436
82 4PLG NAI 0.01893 0.40765 2.19436
83 4PLG OXM 0.01893 0.40765 2.19436
84 2VJJ RAM GLC GAL NAG NAG GLC 0.03167 0.40742 2.19436
85 1DSS NAD 0.01078 0.40501 2.19436
86 4A3R CIT 0.02206 0.40272 2.19436
87 1BUC CAA 0.01214 0.4014 2.19436
88 2GWD GLU 0.003588 0.40033 2.19436
89 2C4I BTN 0.005099 0.40417 2.21402
90 3P0K FAD 0.0007633 0.4474 2.25564
91 1IYE PGU 0.0005623 0.46616 2.26537
92 2DTX BMA 0.003853 0.43995 2.27273
93 1WVC CTP 0.04951 0.4145 2.3166
94 3LM9 FRU 0.009727 0.40539 2.31788
95 1Q7E MET 0.009498 0.40874 2.33645
96 2V7T SAH 0.01029 0.44933 2.34114
97 2HW1 ANP 0.004789 0.41309 2.34899
98 1MVN PCO 0.02129 0.41954 2.39234
99 1MVN FMN 0.01068 0.41954 2.39234
100 3OZG SSI 0.0005687 0.44177 2.4
101 4COQ SAN 0.004359 0.41376 2.42915
102 2E2R 2OH 0.01061 0.41544 2.45902
103 1IM8 SAI 0.007231 0.40582 2.45902
104 4NE2 SH2 0.001305 0.45586 2.50784
105 2RDT FMN 0.004227 0.4506 2.50784
106 1TUF AZ1 0.001669 0.43703 2.50784
107 1WVG CXY 0.001668 0.43355 2.50784
108 1X54 4AD 0.002459 0.43008 2.50784
109 2C7G FAD 0.01453 0.42682 2.50784
110 4NE2 ADP 0.005733 0.42579 2.50784
111 3WE0 FAD 0.01015 0.42523 2.50784
112 4G87 UD1 0.01321 0.42227 2.50784
113 1NOW IFG 0.0006453 0.42182 2.50784
114 1Q11 TYE 0.001495 0.4206 2.50784
115 3TXO 07U 0.001962 0.41822 2.50784
116 3B96 MYA 0.003731 0.41564 2.50784
117 2RDT 2RD 0.03396 0.41531 2.50784
118 2C7G ODP 0.02541 0.41499 2.50784
119 2IMP NAI 0.04888 0.41292 2.50784
120 1N6B DMZ 0.01458 0.41262 2.50784
121 2F2U M77 0.00106 0.41166 2.50784
122 2Q09 DI6 0.001968 0.41028 2.50784
123 1RYD NDP 0.0192 0.40738 2.50784
124 1DXY NAD 0.01051 0.4069 2.50784
125 2NVK NAP 0.003392 0.40656 2.50784
126 3MD0 GDP 0.003181 0.40232 2.50784
127 1H16 PYR 0.000264 0.40097 2.50784
128 4LXH C1E 0.001567 0.42666 2.52708
129 1TDF NAP 0.03851 0.4149 2.53165
130 1TDF FAD 0.03727 0.40232 2.53165
131 1RKD ADP 0.004071 0.43092 2.589
132 1RKD RIB 0.004071 0.43092 2.589
133 1VQ2 DDN 0.0004863 0.44685 2.59067
134 3VKX T3 0.008428 0.40224 2.68199
135 4JK3 NAD 0.003236 0.43118 2.7027
136 2Q1A 2KT 0.001387 0.43486 2.73038
137 3MB5 SAM 0.01699 0.4201 2.7451
138 2PT9 2MH 0.002176 0.44507 2.80374
139 2PT9 S4M 0.004157 0.42223 2.80374
140 1CBF SAH 0.003569 0.4103 2.80702
141 1DLJ UGA 0.001407 0.46894 2.82132
142 1DLJ NAI 0.001407 0.46894 2.82132
143 2TPL HPP 0.0005634 0.45824 2.82132
144 4AT0 FAD 0.002694 0.4545 2.82132
145 3FC2 IBI 0.001691 0.44448 2.82132
146 1E2S CSN 0.000459 0.44291 2.82132
147 1XLI GLT 0.00239 0.44207 2.82132
148 2WA4 069 0.0001059 0.43788 2.82132
149 4CCO OGA 0.0006072 0.43602 2.82132
150 3QV9 QV7 0.001052 0.43303 2.82132
151 3ZRR PXG 0.001538 0.43117 2.82132
152 4CCN OGA 0.0002576 0.42519 2.82132
153 1Y42 TYR 0.001324 0.42267 2.82132
154 3H22 B53 0.001198 0.42136 2.82132
155 4M37 SAH 0.003212 0.41827 2.82132
156 3P3N AKG 0.00352 0.41771 2.82132
157 2EFJ SAH 0.004021 0.41038 2.82132
158 3FSJ D7K 0.04656 0.40991 2.82132
159 1H2M OGA 0.0005237 0.40876 2.82132
160 3BAZ NAP 0.01072 0.40512 2.82132
161 1EDO NAP 0.006565 0.44996 2.86885
162 1FMB HYB 0.001348 0.42207 2.88462
163 1SNY NAP 0.003828 0.42523 2.99625
164 3RFV NAI 0.00977 0.4096 2.99625
165 3CEV ARG 0.002139 0.40889 3.01003
166 3RO7 TDR 0.01124 0.40704 3.01887
167 2R40 20E 0.0007319 0.4518 3.04183
168 2QCX PF1 0.002484 0.41778 3.04183
169 2R40 EPH 0.01068 0.4112 3.04183
170 1R18 SAH 0.005577 0.41214 3.0837
171 1OAA OAA 0.001099 0.46806 3.0888
172 5YAS FAC 0.000768 0.42879 3.11284
173 1SB8 UD2 0.0001566 0.51381 3.125
174 1SB8 NAD 0.02484 0.41109 3.125
175 3FC4 EDO 0.0005327 0.49064 3.1348
176 3CKZ ZMR 0.0009055 0.46967 3.1348
177 2PTZ PAH 0.0004495 0.4458 3.1348
178 1V5F TPP 0.02849 0.44309 3.1348
179 1V5F FAD 0.02849 0.44309 3.1348
180 1P4C FMN 0.01002 0.44017 3.1348
181 1JQI FAD 0.003256 0.43987 3.1348
182 3HPF GAE 0.004238 0.43378 3.1348
183 4I71 AGV 0.001234 0.43295 3.1348
184 3UH0 TSB 0.002324 0.42941 3.1348
185 4G1V FAD 0.003846 0.4266 3.1348
186 1H6C NDP 0.007073 0.42633 3.1348
187 1H6C SIN 0.008914 0.42397 3.1348
188 3P7I P7I 0.001326 0.42265 3.1348
189 1NML CIT 0.0006425 0.42119 3.1348
190 1C0I BE2 0.01388 0.42088 3.1348
191 1C0I FAD 0.01388 0.42088 3.1348
192 1JQI CAA 0.00437 0.41977 3.1348
193 2R42 FPS 0.003007 0.41943 3.1348
194 1CKM GTP 0.001851 0.41129 3.1348
195 4C0C WVH 0.03006 0.40498 3.1348
196 3O2K DST 0.003811 0.40456 3.1348
197 3O2K QRP 0.001833 0.40317 3.1348
198 4EKV BTN 0.01717 0.4053 3.14465
199 3GM5 CIT 0.0007763 0.40135 3.14465
200 3L0E G58 0.001478 0.44248 3.16206
201 3SJ7 NDP 0.00676 0.41769 3.1746
202 3F8C HT1 0.006747 0.40002 3.1746
203 1WUR 8DG 0.004567 0.41568 3.18182
204 3TYZ PAB 0.0207 0.4099 3.21429
205 1UXG NAD 0.02102 0.40663 3.23625
206 1UXG FUM 0.02102 0.40663 3.23625
207 3CH5 GDP 0.01114 0.4134 3.24074
208 1C3V NDP 0.001338 0.45017 3.26531
209 3O7B SAH 0.002631 0.41978 3.27869
210 3FSY SCA 0.02311 0.40335 3.31325
211 3ACC 5GP 0.003014 0.40322 3.31492
212 2BNF UTP 0.009679 0.42141 3.3195
213 3ZS7 ATP 0.002524 0.4262 3.33333
214 2CSN CKI 0.009124 0.40803 3.367
215 2WIC GNP 0.004751 0.41747 3.37079
216 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.003143 0.41248 3.40136
217 4PO2 ASN ARG LEU LEU LEU THR GLY 0.001657 0.43366 3.40426
218 1F5F DHT 0.0006152 0.4428 3.41463
219 3EM1 TYD 0.005682 0.41427 3.42466
220 4TSK NDP 0.0124 0.43068 3.42857
221 2JFV FLC 0.002094 0.42728 3.43643
222 2PTR 2SA 0.0001717 0.48143 3.44828
223 1KBJ FMN 0.0001845 0.47834 3.44828
224 1ZK7 FAD 0.002279 0.45593 3.44828
225 1V35 NAI 0.001863 0.45588 3.44828
226 1VDC FAD 0.004742 0.44349 3.44828
227 2J07 HDF 0.005417 0.44173 3.44828
228 2J07 FAD 0.005417 0.44173 3.44828
229 4USQ FAD 0.002744 0.44073 3.44828
230 4C12 ADP 0.00695 0.43924 3.44828
231 1LCP PLU 0.001762 0.4377 3.44828
232 4K5S FAD 0.003404 0.43549 3.44828
233 4OYA 1VE 0.02674 0.43272 3.44828
234 1LVL FAD 0.007056 0.43225 3.44828
235 4K5S PM0 0.008931 0.43195 3.44828
236 2ZX7 ZX7 0.003481 0.43188 3.44828
237 3B1F NAD 0.002551 0.42601 3.44828
238 3DAG FEG 0.003614 0.42476 3.44828
239 3VTF UPG 0.002346 0.42377 3.44828
240 3JQ3 ADP 0.0006896 0.41904 3.44828
241 3GWT 066 0.008039 0.41707 3.44828
242 1YOE RIB 0.001719 0.41251 3.44828
243 2ZJ3 G6P 0.005569 0.40862 3.44828
244 1LVL NAD 0.006341 0.40814 3.44828
245 1ECC PCP 0.007766 0.40788 3.44828
246 4IVG ANP 0.0408 0.40274 3.44828
247 4KXV TDP DX5 0.0259 0.40263 3.44828
248 2A0W DIH 0.005861 0.42597 3.46021
249 3IU9 T07 0.0251 0.41722 3.47222
250 4O1M NAD 0.003094 0.43338 3.49206
251 1WGC SIA GAL BGC 0.009699 0.42652 3.50877
252 2VAR ANP 0.002919 0.42183 3.51438
253 2VAR AMP 0.003413 0.40387 3.51438
254 1BGQ RDC 0.00294 0.43001 3.55556
255 3ZOD FMN 0.004732 0.42139 3.66492
256 3ZOD HQE 0.004732 0.42139 3.66492
257 1UWZ THU 0.002612 0.41565 3.67647
258 1PR9 NAP 0.0009952 0.45836 3.68852
259 1HDR NAD 0.009519 0.4307 3.68852
260 3D3W NAP 0.009065 0.41485 3.68852
261 3EW2 BTN 0.002325 0.40751 3.7037
262 1NN5 2DT 0.000624 0.46278 3.72093
263 1NN5 ANP 0.000624 0.46278 3.72093
264 4TMK T5A 0.008945 0.45969 3.75587
265 1OLS TDP 0.0002808 0.49537 3.76176
266 1O9U ADZ 0.0008859 0.46845 3.76176
267 3F3E LEU 0.0007643 0.46835 3.76176
268 2XK9 XK9 0.001024 0.45914 3.76176
269 4NM5 ADP 0.0004807 0.45559 3.76176
270 2XVE FAD 0.005461 0.44982 3.76176
271 2XVF FAD 0.003201 0.44132 3.76176
272 1QS0 TDP 0.002011 0.42647 3.76176
273 4ARF IP8 GLY PRO ALA 0.001492 0.42525 3.76176
274 1RYI FAD 0.009642 0.42439 3.76176
275 1PL6 572 0.008566 0.4183 3.76176
276 3ZPG 5GP 0.01109 0.41572 3.76176
277 4LHM AZZ 0.002999 0.41443 3.76176
278 1RYI GOA 0.01808 0.41406 3.76176
279 1QZZ SAM 0.0003449 0.41301 3.76176
280 1VJO PLP 0.003356 0.41135 3.76176
281 4UAL 3FV 0.003838 0.41118 3.76176
282 4AQL TXC 0.004277 0.40931 3.76176
283 1XVV CCQ 0.02089 0.40769 3.76176
284 1NNS ASP 0.002915 0.4065 3.76176
285 1KOL NAD 0.02028 0.40534 3.76176
286 3EE4 MYR 0.007627 0.40488 3.76176
287 3GTD MLI 0.005673 0.40311 3.76176
288 1M5B BN1 0.007227 0.44144 3.80228
289 3PFG SAM 0.006307 0.43156 3.80228
290 3PFG TLO 0.006307 0.43156 3.80228
291 1XX4 BAM 0.0006635 0.47447 3.83142
292 1NF8 ISC 0.003929 0.40403 3.86473
293 1G7V PAI 0.01145 0.41919 3.87324
294 4E13 NAD 0.003437 0.41895 3.88693
295 4BI7 PGA 0.001938 0.41053 3.89105
296 2J7T 274 0.001242 0.44868 3.97351
297 3R35 4CO 0.01111 0.41109 3.97351
298 2JAR UMP 0.005169 0.40803 4
299 4LWA Q13 0.00101 0.46538 4.07523
300 1Z45 NAD 0.001454 0.44725 4.07523
301 4B7J G39 0.001914 0.4462 4.07523
302 2XDQ MGX 0.00286 0.44403 4.07523
303 3K37 BCZ 0.01251 0.44022 4.07523
304 2RGH FAD 0.005093 0.43565 4.07523
305 1R6D NAD 0.0107 0.43148 4.07523
306 1NW5 SAM 0.001549 0.43103 4.07523
307 1UMP SQA 0.003059 0.42776 4.07523
308 1R6D DAU 0.01517 0.42383 4.07523
309 3B20 NAD 0.0039 0.42338 4.07523
310 2R14 FMN 0.005015 0.42033 4.07523
311 1Z45 UPG 0.002905 0.41806 4.07523
312 4N02 FNR 0.03594 0.40668 4.07523
313 4QN7 G39 0.01812 0.40645 4.07523
314 1WL4 COA 0.02938 0.40461 4.07523
315 2TOH HBI 0.01153 0.40233 4.07523
316 1UAY ADN 0.003136 0.41024 4.13223
317 1JYQ MAZ PTR PTM ASN 0.01026 0.43002 4.16667
318 1V1A KDG 0.002097 0.4267 4.20712
319 4IAE 1DX 0.0107 0.42881 4.2328
320 3S9K CIT 0.001885 0.47361 4.23729
321 1J5P NAD 0.003382 0.42895 4.34783
322 2FWP ICR 0.01075 0.41629 4.37158
323 4CS4 AXZ 0.006256 0.43457 4.37956
324 4CS4 ANP 0.009928 0.41991 4.37956
325 1R6W 164 0.00007106 0.47739 4.38871
326 2YPO PHE 0.001155 0.45148 4.38871
327 2QA1 FAD 0.00276 0.44182 4.38871
328 3NYQ AMP 0.00251 0.44116 4.38871
329 1P72 ADP 0.002236 0.44071 4.38871
330 2Z9V PXM 0.0004981 0.43941 4.38871
331 3NYQ MCA 0.002877 0.43736 4.38871
332 3UXL CFI 0.01891 0.43659 4.38871
333 1Q0H FOM 0.009403 0.42846 4.38871
334 1Q0H NDP 0.01024 0.42846 4.38871
335 4KCF AKM 0.003963 0.4199 4.38871
336 1ZGA HMK 0.001851 0.41672 4.38871
337 4KCF FMN 0.002883 0.40925 4.38871
338 1YHM AHD 0.0008641 0.40871 4.38871
339 1P72 THM 0.00179 0.4068 4.38871
340 1F1V DHY 0.00294 0.40363 4.38871
341 4IOK XPO 0.01069 0.40217 4.38871
342 1QJC PNS 0.04067 0.40455 4.43038
343 3KMZ EQO 0.0091 0.40951 4.51128
344 1A8R GTP 0.001054 0.43779 4.52489
345 1WNG SAH 0.001288 0.43427 4.5283
346 3CQD ATP 0.001387 0.4571 4.53074
347 1UCN ADP 0.003518 0.40828 4.60526
348 1Q6O LG6 0.0004789 0.44472 4.62963
349 2ZWS PLM 0.001307 0.48166 4.70219
350 4IU0 ABH 0.0007307 0.44817 4.70219
351 2YYJ FAD 0.009812 0.44734 4.70219
352 2YYJ 4HP 0.009812 0.44734 4.70219
353 2IUW AKG 0.0002504 0.44438 4.70219
354 1GEX PLP HSA 0.001528 0.44027 4.70219
355 4KCT PYR 0.0006011 0.42989 4.70219
356 4AMV F6R 0.001154 0.42964 4.70219
357 1MOQ GLP 0.003351 0.41558 4.70219
358 4MZ7 DTP 0.00873 0.41429 4.70219
359 1JIL 485 0.00536 0.40929 4.70219
360 2JC9 ADN 0.001875 0.40472 4.70219
361 1V2G OCA 0.002311 0.41298 4.73684
362 1T8U UAP SGN IDS SGN 0.003422 0.44114 4.77941
363 1T8U A3P 0.002236 0.42462 4.77941
364 4FDV 0UK 0.01904 0.40224 4.78469
365 2EWM NAD 0.0005863 0.46539 4.81928
366 4FGC PQ0 0.0006243 0.41482 4.84848
367 1U7Z PMT 0.01086 0.41387 4.86726
368 2NX1 RP5 0.0005477 0.46207 4.86891
369 2NX1 PEP 0.002063 0.43794 4.86891
370 2HGZ PBF 0.001109 0.44436 4.90196
371 3QP6 HL6 0.002401 0.41478 4.90566
372 2ZI8 SDT 0.005255 0.4223 5
373 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.0004125 0.48357 5.01567
374 1OTH PAO 0.005261 0.42617 5.01567
375 3OND NAD 0.015 0.42099 5.01567
376 3OND ADN 0.015 0.42099 5.01567
377 3NFZ 3NF 0.0003756 0.41833 5.01567
378 1C7S CBS 0.002109 0.41453 5.01567
379 1DJ9 KAM 0.007178 0.41086 5.01567
380 4DXJ 0M9 0.002364 0.41001 5.01567
381 4Q3R XA2 0.009551 0.40721 5.01567
382 1UKW FAD 0.02022 0.40639 5.01567
383 1KYV RBF 0.003519 0.41268 5.03145
384 1Y75 NAG 0.001633 0.41336 5.08475
385 2D37 NAD 0.007306 0.41491 5.11364
386 2D37 FMN 0.008507 0.41074 5.11364
387 2WUF KEM 0.003957 0.41992 5.15464
388 1QY1 PRZ 0.008499 0.40297 5.17241
389 1Y9Q MED 0.0003914 0.45817 5.20833
390 2B82 ADN 0.003936 0.41655 5.21327
391 5RHN 8BR 0.0003839 0.4485 5.21739
392 2YC5 6BC 0.006848 0.42477 5.26316
393 1B5E DCM 0.0001993 0.44815 5.28455
394 1JH7 UVC 0.0233 0.40466 5.29101
395 4HZD COA 0.00835 0.42104 5.31915
396 4QDC ASD 0.00001143 0.53145 5.32915
397 1D6H COA 0.003042 0.44846 5.32915
398 2PUL ACP 0.001209 0.42885 5.32915
399 4I9A NCN 0.004503 0.42513 5.32915
400 4NES UD1 0.002251 0.4225 5.32915
401 3UR0 SVR 0.0155 0.4179 5.32915
402 1MG1 MAL 0.004435 0.4162 5.32915
403 2XZ3 MAL 0.009083 0.41227 5.32915
404 1KYZ SAH 0.004084 0.41213 5.32915
405 3JDW ORN 0.003621 0.41005 5.32915
406 2YHW BM3 0.01776 0.40118 5.32915
407 2JBH 5GP 0.003551 0.40051 5.33333
408 1I9G SAM 0.02928 0.4063 5.35714
409 3P0F BAU 0.002176 0.41878 5.38721
410 1JCM 137 0.002319 0.43727 5.40541
411 4F2Q QUS 0.00185 0.41921 5.42636
412 2Q97 ATP 0.006627 0.40907 5.42636
413 3TO7 COA 0.01688 0.41081 5.43478
414 2C1Q BTN 0.01471 0.41441 5.55556
415 1SBZ FMN 0.0206 0.40077 5.58376
416 3CBG SAH 0.002711 0.41719 5.60345
417 3QO8 SSA 0.00006948 0.47778 5.64263
418 1TIW FAD 0.001455 0.45735 5.64263
419 1TIW TFB 0.001455 0.45735 5.64263
420 2AQJ FAD 0.005531 0.44819 5.64263
421 2AQJ TRP 0.005338 0.44819 5.64263
422 4O8A FAD 0.003811 0.43087 5.64263
423 3WD1 ST7 0.008456 0.42876 5.64263
424 1WDA BAG 0.000671 0.42808 5.64263
425 3PC3 P1T 0.002387 0.42537 5.64263
426 1GJW GLC 0.004535 0.4195 5.64263
427 1FP2 HMO 0.005116 0.40412 5.64263
428 3TKA CTN 0.03032 0.40152 5.64263
429 3TN7 NJP 0.0189 0.40122 5.64263
430 1G0N NDP 0.001751 0.45384 5.65371
431 1G0N PHH 0.00248 0.45041 5.65371
432 3QVL 5HY 0.02816 0.41084 5.71429
433 4NVP 7CH 0.002632 0.44271 5.74163
434 1EP2 FMN 0.001738 0.44106 5.74713
435 1EP2 FAD 0.002153 0.43078 5.74713
436 1EP2 ORO 0.00536 0.42822 5.74713
437 1T0I FMN 0.001183 0.43368 5.75916
438 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.002019 0.46144 5.76923
439 3M0J OAF 0.01045 0.41222 5.86319
440 2Q2V NAD 0.006567 0.42326 5.88235
441 4FWE FAD 0.00145 0.46272 5.95611
442 3GE7 AFQ 0.001144 0.45576 5.95611
443 2DKH 3HB 0.002854 0.44566 5.95611
444 1I0Z OXM 0.002839 0.44418 5.95611
445 3W54 RNB 0.0008232 0.43298 5.95611
446 3DG6 MUC 0.00009476 0.43052 5.95611
447 2VHJ ADP 0.001771 0.42869 5.95611
448 3DGB MUC 0.0002059 0.42829 5.95611
449 3S6T OAN 0.001929 0.42307 5.95611
450 3IL6 B83 0.002445 0.42305 5.95611
451 3T31 DCQ 0.02417 0.41733 5.95611
452 3T31 FAD 0.0226 0.41733 5.95611
453 4RJK PYR 0.007962 0.41532 5.95611
454 2NCD ADP 0.006253 0.40137 5.95611
455 4B9E FAH 0.001194 0.44507 5.98007
456 2QS8 MET 0.01183 0.40474 5.98086
457 4LBP 1WG 0.01683 0.40094 6
458 3F81 STT 0.005596 0.43002 6.01093
459 2G86 UMP 0.001996 0.46123 6.01266
460 3PJU C2E 0.002002 0.43697 6.0241
461 3QP4 HL0 0.001163 0.42952 6.04396
462 1NHZ 486 0.0005167 0.45431 6.07143
463 1P9P SAH 0.001356 0.43721 6.13027
464 3DDC GNP 0.005362 0.41764 6.13497
465 2UZ2 BTN 0.00009834 0.47183 6.15385
466 3HZS M0E 0.029 0.40316 6.2201
467 1FDJ 2FP 0.00009426 0.4669 6.26959
468 4M5P 23W 0.006334 0.4199 6.26959
469 1FDJ 13P 0.0003259 0.41621 6.26959
470 4M5P MLA 0.02523 0.4055 6.26959
471 3BY8 MLT 0.003751 0.42314 6.33803
472 3U4C NDP 0.01263 0.40622 6.40569
473 2WCV FUC 0.0006548 0.43145 6.42857
474 1F3F D4T 0.00479 0.44888 6.45161
475 3ZEI AWH 0.004437 0.4254 6.45161
476 2PNZ UDP 0.0009571 0.4487 6.4982
477 1C1L GAL BGC 0.001072 0.44713 6.56934
478 1JA9 NDP 0.02388 0.42366 6.56934
479 1JA9 PYQ 0.009549 0.41135 6.56934
480 1TOI HCI 0.001156 0.45 6.58307
481 2BJK NAD 0.006101 0.4422 6.58307
482 3MPI GRA 0.01629 0.42315 6.58307
483 2HGS ADP 0.003479 0.42051 6.58307
484 1RQH PYR 0.0003196 0.41359 6.58307
485 4C2G ALA ALA ALA ALA 0.001975 0.41022 6.58307
486 2HGS GSH 0.005115 0.40191 6.58307
487 4LSJ LSJ 0.006931 0.40657 6.58915
488 1GS5 NLG 0.01673 0.40579 6.58915
489 1GS5 ANP 0.01673 0.40579 6.58915
490 3K3K A8S 0.002047 0.42616 6.63507
491 2BNE U5P 0.02045 0.40257 6.639
492 2AZ3 CDP 0.001402 0.40927 6.70732
493 1Y7I SAL 0.002233 0.40104 6.71642
494 3LTW HLZ 0.001078 0.43951 6.78571
495 4LFL TG6 0.001753 0.415 6.79012
496 1EXB NDP 0.03962 0.41431 6.79612
497 3N5O GSH 0.001131 0.43447 6.80851
498 2J5S KTA 0.004238 0.41149 6.84411
499 1PEA ACM 0.0002335 0.48577 6.89655
500 3I28 34N 0.003915 0.44634 6.89655
501 1QO0 BMD 0.001004 0.44082 6.89655
502 1X8X TYR 0.0006851 0.43069 6.89655
503 1E4E ADP 0.001604 0.42839 6.89655
504 4LCQ URQ 0.006615 0.41808 6.89655
505 3CXO 3LR 0.01091 0.4089 6.89655
506 1E4E PHY 0.005127 0.40408 6.89655
507 2V5E SCR 0.002026 0.46076 6.93069
508 2HVW DDN 0.0002881 0.45082 7.06522
509 2HVW DCP 0.001064 0.42862 7.06522
510 2F01 BTQ 0.0006482 0.49474 7.08661
511 2F01 BTN 0.0006635 0.49427 7.08661
512 3PNL ADP 0.004218 0.41709 7.109
513 4JP3 CIT 0.001581 0.41939 7.11297
514 1Y52 BTN 0.000867 0.4705 7.14286
515 4BCS BTN 0.002024 0.42003 7.2
516 3Q9T FAY 0.001149 0.46181 7.21003
517 3WO0 ALA 0.001212 0.45846 7.21003
518 3WO0 ADP 0.001212 0.45846 7.21003
519 2H8Z 8CM 0.001588 0.4442 7.21003
520 2H8Z FMN 0.001588 0.4442 7.21003
521 2G36 TRP 0.0004179 0.42059 7.21003
522 1F8F NAD 0.02858 0.41263 7.21003
523 2AE2 NAP 0.01335 0.41721 7.30769
524 2AE2 PTO 0.01335 0.41721 7.30769
525 1PKK DCP 0.003945 0.41828 7.35294
526 2QLX RM4 0.0006549 0.45657 7.40741
527 1GV0 NAD 0.01112 0.40984 7.41935
528 1NZY BCA 0.006188 0.41794 7.43494
529 2IXB NAD 0.001299 0.45072 7.52351
530 2IXB A2G 0.002151 0.44994 7.52351
531 2BLE 5GP 0.01643 0.42639 7.52351
532 2WGC SIA GAL BGC 0.0182 0.42105 7.60234
533 1QB7 ADE 0.0000331 0.48128 7.62712
534 2HMT NAI 0.002417 0.45661 7.63889
535 1MZV AMP 0.00003843 0.46451 7.65957
536 2ZSC BTN 0.004722 0.40327 7.80142
537 1QF5 GDP 0.003618 0.44875 7.83699
538 1QF5 RPL 0.003618 0.44875 7.83699
539 1REO FAD 0.006278 0.43065 7.83699
540 4M51 BEZ 0.008195 0.41475 7.83699
541 1SS4 GSH 0.001903 0.48464 7.84314
542 1SS4 CIT 0.004067 0.45783 7.84314
543 3IIS PID 0.02092 0.42692 7.94702
544 1FIQ SAL 0.0004083 0.47351 8.15047
545 1FIQ MTE 0.001925 0.4421 8.15047
546 2I4O ATP 0.0004021 0.43959 8.15047
547 3K5X P8D 0.001332 0.41959 8.15047
548 1FIQ FAD 0.01325 0.41126 8.15047
549 1FBL HTA 0.002328 0.41026 8.15047
550 2AMV BIN 0.03202 0.40757 8.15047
551 1ECM TSA 0.001356 0.41644 8.25688
552 3BL6 FMC 0.003867 0.41308 8.26087
553 1NVV GNP 0.0007355 0.45344 8.46395
554 1TB4 PEJ 0.006566 0.41954 8.46395
555 5FIT AP2 0.00256 0.41125 8.46395
556 1NVU GTP 0.04048 0.40564 8.46395
557 4G09 0VD 0.004762 0.40535 8.46395
558 3PVT 3HC 0.007892 0.42425 8.49421
559 1MK1 APR 0.003127 0.4224 8.69565
560 2NLI LAC 0.004017 0.44841 8.77743
561 2NLI FMN 0.004017 0.44841 8.77743
562 4MP8 NAD 0.005504 0.43107 8.77743
563 4MP8 MLI 0.005504 0.43107 8.77743
564 1ZFJ IMP 0.03893 0.42389 8.77743
565 1TU3 GNP 0.005289 0.41788 8.86076
566 3VPD ANP 0.001678 0.43158 8.8968
567 1POC GEL 0.0004393 0.44861 8.95522
568 4GO7 THR 0.004229 0.40028 9
569 3IBH GSH 0.0052 0.40982 9.01288
570 1D09 PAL 0.01773 0.44389 9.03226
571 1P9B IMO 0.001637 0.43738 9.09091
572 1ZZ7 S0H 0.0008261 0.43075 9.09091
573 1LL2 UPG 0.00278 0.42269 9.09091
574 1KBI FMN 0.004792 0.42116 9.09091
575 1KBI PYR 0.004792 0.42116 9.09091
576 4KS1 2H8 0.01882 0.41328 9.09091
577 3LIH RAF 0.004227 0.41153 9.09091
578 3WBF NAP 0.00445 0.42535 9.18033
579 3WBF API 0.00587 0.42535 9.18033
580 1T0S BML 0.002182 0.44119 9.30233
581 2HV8 GTP 0.004724 0.41837 9.30233
582 2GDZ NAD 0.001609 0.44538 9.3633
583 1BDB NAD 0.0321 0.41866 9.38628
584 2Q8H TF4 0.002616 0.44589 9.40439
585 1H82 GZZ 0.02629 0.41756 9.40439
586 1H82 FAD 0.0239 0.41756 9.40439
587 1B55 4IP 0.0003581 0.44713 9.46746
588 1YGC 905 0.002247 0.42453 9.52381
589 1CSI CMX 0.002801 0.44601 9.71787
590 1CSI OAA 0.002801 0.44601 9.71787
591 1LC8 33P 0.001953 0.43743 9.71787
592 3A2Q ACA ACA 0.002218 0.42066 9.71787
593 1O7N IND 0.003862 0.41866 9.71787
594 4DQ2 BTX 0.006699 0.41785 9.71787
595 3CL7 HYN 0.01106 0.40308 9.74026
596 4IS0 1R4 0.005835 0.41133 9.95851
597 2GJ3 FAD 0.003964 0.42949 10
598 3C1O NAP 0.0005897 0.45567 10.0313
599 3MTW M3R 0.0007441 0.43717 10.0313
600 2C31 ADP 0.04852 0.4101 10.0313
601 3BLI ACO 0.006738 0.40878 10.0313
602 4GQB 0XU 0.01685 0.42175 10.3448
603 2HJ3 FAD 0.0007261 0.44633 10.4
604 3H86 AP5 0.01433 0.42532 10.4167
605 2CKM AA7 0.003001 0.44676 10.9718
606 3V91 UPG 0.02903 0.40802 10.9966
607 3QDT A2G GAL 0.006519 0.41933 11.1888
608 3QDY CBS 0.00852 0.40739 11.1888
609 3QDY A2G GAL 0.01621 0.40107 11.1888
610 4P3H 25G 0.003151 0.44873 11.399
611 1MQ0 BRD 0.001607 0.42161 11.4286
612 2VBQ BSJ 0.001462 0.45249 11.5152
613 1RBO CAP 0.02324 0.44281 11.5987
614 3OIG NAD 0.01248 0.43192 11.6541
615 3OIG IMJ 0.01505 0.40776 11.6541
616 1LYX PGA 0.003151 0.41016 11.6935
617 1IUP ALQ 0.003878 0.42923 11.7021
618 1VR0 3SL 0.0008513 0.42414 11.7409
619 2YB9 HA0 0.008917 0.4139 11.9122
620 1TRD PGH 0.004625 0.40128 12
621 3S7O LBV 0.01005 0.41294 12.2257
622 4BMO FMN 0.001932 0.43604 12.5392
623 4F8L GAL 0.01024 0.43434 13.1034
624 1H9G COA MYR 0.006181 0.41654 13.1687
625 1OFH ADP 0.003783 0.42393 13.2258
626 3UIE ADX 0.002757 0.41243 13.5
627 3KJI ADP 0.001416 0.42615 14.1732
628 3U5S FAD 0.001467 0.43394 14.2857
629 3O55 FAD 0.007498 0.41158 14.4
630 1L2T ATP 0.009077 0.40509 14.4681
631 2F59 INI 0.001995 0.4246 14.6497
632 1V2X SAM 0.00123 0.43508 14.9485
633 2RHW C0E 0.003841 0.45687 15.1943
634 4R3L COA 0.001353 0.42808 16.185
635 2PWY SAH 0.001949 0.43256 16.2791
636 1QPB PYM 0.001173 0.44666 16.9279
637 1QPB TPP 0.001854 0.43836 16.9279
638 1BTN I3P 0.001724 0.47797 16.9811
639 3SQG TP7 0.002144 0.41903 18.4953
640 1V7R CIT 0.01682 0.41443 23.6559
641 1EZV SMA 0.008222 0.41136 28.0374
Pocket No.: 5; Query (leader) PDB : 3GJB; Ligand: AKG; 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: 3gjb.bio3) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3GJB; Ligand: AKG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3gjb.bio3) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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