Receptor
PDB id Resolution Class Description Source Keywords
2F59 2.3 Å EC: 2.5.1.9 LUMAZINE SYNTHASE RIBH1 FROM BRUCELLA ABORTUS (GENE BRUAB1_0 SWISS-PROT ENTRY Q57DY1) COMPLEXED WITH INHIBITOR 5-NITRO-6R IBITYLAMINO)-2,4(1H,3H) PYRIMIDINEDIONE BRUCELLA ABORTUS ENZYME-SUBSTRATE ANALOGUE INHIBITOR COMPLEX TRANSFERASE
Ref.: STRUCTURAL AND KINETIC PROPERTIES OF LUMAZINE SYNTH ISOENZYMES IN THE ORDER RHIZOBIALES J.MOL.BIOL. V. 373 664 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:301;
A:304;
B:302;
C:303;
C:305;
D:306;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
INI A:201;
B:202;
C:203;
D:204;
E:205;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
306.229 C9 H14 N4 O8 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2F59 2.3 Å EC: 2.5.1.9 LUMAZINE SYNTHASE RIBH1 FROM BRUCELLA ABORTUS (GENE BRUAB1_0 SWISS-PROT ENTRY Q57DY1) COMPLEXED WITH INHIBITOR 5-NITRO-6R IBITYLAMINO)-2,4(1H,3H) PYRIMIDINEDIONE BRUCELLA ABORTUS ENZYME-SUBSTRATE ANALOGUE INHIBITOR COMPLEX TRANSFERASE
Ref.: STRUCTURAL AND KINETIC PROPERTIES OF LUMAZINE SYNTH ISOENZYMES IN THE ORDER RHIZOBIALES J.MOL.BIOL. V. 373 664 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2F59 - INI C9 H14 N4 O8 C([C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2F59 - INI C9 H14 N4 O8 C([C@@H]([....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2F59 - INI C9 H14 N4 O8 C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: INI; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 INI 1 1
2 LMZ 0.52381 0.914286
3 2LJ 0.452055 0.819444
4 5YL 0.434211 0.769231
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2F59; Ligand: INI; Similar sites found: 20
This union binding pocket(no: 1) in the query (biounit: 2f59.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GGO ENO 0.02245 0.40492 1.27389
2 4K7O EKZ 0.01075 0.41611 2.54777
3 1YXM ADE 0.01892 0.41414 3.82166
4 2B6N ALA PRO THR 0.0164 0.40051 3.82166
5 3NOJ PYR 0.006792 0.43224 4.4586
6 3K3G MMU 0.01801 0.40951 4.4586
7 3JUC PCA 0.008613 0.43032 4.57516
8 3DTU DXC 0.02586 0.40871 5.09554
9 3HP9 CF1 0.02947 0.4054 5.09554
10 3TNF GNP 0.01074 0.40337 5.09554
11 4O4Z N2O 0.02627 0.40069 5.84416
12 4RW3 TDA 0.0154 0.42054 6.36943
13 3Q9T FAY 0.0171 0.40586 7.00637
14 1D8C GLV 0.0138 0.41601 8.28025
15 1P7T PYR 0.01607 0.41701 8.9172
16 4F4S EFO 0.01374 0.41386 9.21053
17 1VBH PEP 0.01802 0.41053 10.828
18 3W9F I3P 0.01557 0.40095 21.0191
19 4KQ6 DLZ 0.00000001008 0.68972 40.1274
20 1RVV INI 0.000000001926 0.74823 46.1039
Pocket No.: 2; Query (leader) PDB : 2F59; Ligand: INI; 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: 2f59.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2F59; Ligand: INI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2f59.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2F59; Ligand: INI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2f59.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2F59; Ligand: INI; 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: 2f59.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2F59; Ligand: INI; Similar sites found: 474
This union binding pocket(no: 6) in the query (biounit: 2f59.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.00009105 0.5574 None
2 3F81 STT 0.0001482 0.52243 None
3 3SJ0 DXC 0.0002321 0.49279 None
4 1UO4 PIH 0.00229 0.47252 None
5 3RF4 FUN 0.0004515 0.45689 None
6 4JCA CIT 0.00574 0.45167 None
7 2VKL MLT 0.007239 0.44639 None
8 1NU4 MLA 0.0126 0.44255 None
9 3RFV 15L 0.0002952 0.4389 None
10 2E1A MSE 0.001232 0.43298 None
11 1DXY NAD 0.0006669 0.42645 None
12 1UO5 PIH 0.02905 0.42249 None
13 1KDK DHT 0.0005527 0.42216 None
14 2ALG DAO 0.0005065 0.42147 None
15 2ALG HP6 0.0005065 0.42147 None
16 3D3W NAP 0.001367 0.42139 None
17 3RFV NAI 0.001063 0.4209 None
18 1H6C NDP 0.004556 0.40966 None
19 2WCV FUC 0.0001378 0.40922 None
20 1MQ0 BRD 0.0004416 0.4057 None
21 3I0O ADP 0.004628 0.40517 None
22 1O6B ADP 0.009233 0.40496 None
23 2FWP CIT 0.004439 0.40299 None
24 3I0O SMI 0.01231 0.40233 None
25 1PR9 NAP 0.00568 0.4016 None
26 1RYD NDP 0.007775 0.40106 None
27 1VQ2 DDN 0.001146 0.45219 1.27389
28 2QCX PF1 0.002119 0.4351 1.27389
29 1Q6O LG6 0.0003454 0.41425 1.27389
30 1R6W 164 0.0004428 0.41159 1.27389
31 2Y6P CTP 0.004761 0.40469 1.27389
32 5YAS FAC 0.0002663 0.40244 1.27389
33 2Y7P SAL 0.0004977 0.45514 1.91083
34 3TFC PEP 0.0007611 0.44751 1.91083
35 2B7N NTM 0.001657 0.43967 1.91083
36 1R6D NAD 0.00222 0.4355 1.91083
37 1V35 NAI 0.001481 0.4321 1.91083
38 3ZS7 ATP 0.0003603 0.42853 1.91083
39 3O7B SAH 0.0002537 0.42729 1.91083
40 3E6J DR2 0.01574 0.42483 1.91083
41 1DLJ NAI 0.003822 0.4239 1.91083
42 4FR3 0V4 0.01088 0.41776 1.91083
43 4FR3 LYS ARG ARG LYS SEP VAL 0.0138 0.41358 1.91083
44 1R6D DAU 0.008565 0.41192 1.91083
45 4KQI RBZ 0.002561 0.41158 1.91083
46 4KQI NIO 0.002561 0.41158 1.91083
47 1DLJ UGA 0.01565 0.40023 1.91083
48 3LEO GSH 0.002059 0.41221 1.93548
49 1SS4 CIT 0.0002295 0.59158 1.96078
50 1SS4 GSH 0.00006669 0.57513 1.96078
51 3UEC ALA ARG TPO LYS 0.005177 0.4307 2.05479
52 2OFE NAG 0.0004988 0.46942 2.11268
53 1Y2W NAG 0.005478 0.42325 2.11268
54 1POC GEL 0.0008412 0.40599 2.23881
55 2GJ3 FAD 0.002257 0.41288 2.5
56 1XX4 BAM 0.0004896 0.49654 2.54777
57 3CXO 3LR 0.0002326 0.44589 2.54777
58 1EYE PMM 0.0004735 0.43792 2.54777
59 1UXG NAD 0.0009285 0.43636 2.54777
60 1UXG FUM 0.0009285 0.43636 2.54777
61 1V6A TRE 0.003033 0.42843 2.54777
62 4KXV TDP DX5 0.002738 0.41894 2.54777
63 2Q37 3AL 0.005311 0.418 2.54777
64 2ZJ5 ADP 0.005633 0.4169 2.54777
65 4BMO FMN 0.001493 0.41254 2.54777
66 2JE7 XMM 0.001736 0.41183 2.54777
67 3CXO 1N5 0.002706 0.41072 2.54777
68 4W97 UCA 0.001859 0.40757 2.54777
69 2OWZ F6P 0.006633 0.40568 2.54777
70 4QDC ASD 0.002793 0.40532 2.54777
71 3CH5 GDP 0.004108 0.40263 2.54777
72 9LDT NAD 0.005343 0.40009 2.54777
73 1ECM TSA 0.000612 0.44514 2.75229
74 3I51 45C 0.00006955 0.46923 3.18471
75 2V5E SCR 0.002899 0.46717 3.18471
76 2Q1A 2KT 0.001786 0.44485 3.18471
77 3D2Y AH0 ALA FGA LYS 0.00008492 0.44321 3.18471
78 1KTC NGA 0.001605 0.43412 3.18471
79 1G0N NDP 0.001158 0.4328 3.18471
80 2PT9 2MH 0.0008659 0.43258 3.18471
81 1G0N PHH 0.001487 0.43203 3.18471
82 1JH7 UVC 0.002563 0.43156 3.18471
83 1DSS NAD 0.0006045 0.42627 3.18471
84 1BGQ RDC 0.0007705 0.42424 3.18471
85 2GDZ NAD 0.001291 0.42087 3.18471
86 2CSN CKI 0.0008893 0.42041 3.18471
87 4MZ7 DGT 0.001414 0.41946 3.18471
88 4AQL TXC 0.0003782 0.41773 3.18471
89 4K30 NLG 0.00425 0.4166 3.18471
90 1QZZ SAM 0.001461 0.41473 3.18471
91 1KBJ FMN 0.001334 0.41425 3.18471
92 1U7Z PMT 0.002745 0.41307 3.18471
93 3MPI GRA 0.008519 0.41277 3.18471
94 3ZY6 GFB 0.001027 0.41103 3.18471
95 4HZD COA 0.003681 0.41083 3.18471
96 3FS8 ACO 0.02126 0.40867 3.18471
97 3FS8 TDR 0.01944 0.40867 3.18471
98 4U9W COA 0.0009999 0.40839 3.18471
99 3HF3 FMN 0.001416 0.40816 3.18471
100 2C5S AMP 0.005699 0.40633 3.18471
101 2NLI FMN 0.01203 0.40466 3.18471
102 2NLI LAC 0.01203 0.40466 3.18471
103 2BNE U5P 0.004927 0.40444 3.18471
104 1Y42 TYR 0.0001443 0.47738 3.82166
105 4LWM MHO 0.008184 0.46065 3.82166
106 4NTD FAD 0.0002143 0.45997 3.82166
107 2BLE 5GP 0.001201 0.44987 3.82166
108 2NVK NAP 0.0006951 0.44914 3.82166
109 1P9B IMO 0.0001298 0.44773 3.82166
110 1X1T NAD 0.002768 0.44235 3.82166
111 2Q1S NAI 0.001067 0.43952 3.82166
112 1P9B GDP 0.00008923 0.43828 3.82166
113 3LTW HLZ 0.002571 0.43783 3.82166
114 1OAA OAA 0.00123 0.4372 3.82166
115 2YVF FAD 0.002867 0.43572 3.82166
116 4BAS GNP 0.0002245 0.43349 3.82166
117 1EDO NAP 0.004848 0.4313 3.82166
118 1T26 NAI 0.009282 0.43038 3.82166
119 1T26 GBD 0.009282 0.43038 3.82166
120 1ZZ7 S0H 0.001978 0.43036 3.82166
121 1NZY BCA 0.0006172 0.42925 3.82166
122 3NYQ AMP 0.001067 0.42798 3.82166
123 1SQ5 PAU 0.002422 0.42672 3.82166
124 2F2U M77 0.001329 0.4262 3.82166
125 4USQ FAD 0.002315 0.417 3.82166
126 1YOE RIB 0.00006365 0.41552 3.82166
127 2HGS ADP 0.000877 0.41529 3.82166
128 3BW2 FMN 0.001983 0.41421 3.82166
129 3WO0 ADP 0.003671 0.41202 3.82166
130 3WO0 ALA 0.003671 0.41202 3.82166
131 2HGS GSH 0.0002873 0.4118 3.82166
132 1RP0 AHZ 0.01497 0.41159 3.82166
133 3QP4 HL0 0.001353 0.41138 3.82166
134 1N6B DMZ 0.004178 0.41105 3.82166
135 3NYQ MCA 0.002957 0.41064 3.82166
136 2A0W DIH 0.003377 0.41042 3.82166
137 4NE2 ADP 0.003342 0.40997 3.82166
138 4K5S FAD 0.003462 0.40941 3.82166
139 4K5S PM0 0.008647 0.40941 3.82166
140 2YVF NAD 0.01439 0.40863 3.82166
141 1SQ5 ADP 0.002992 0.40781 3.82166
142 2I4O ATP 0.0002238 0.40668 3.82166
143 1JUV NDP 0.002486 0.40635 3.82166
144 4COQ SAN 0.01363 0.40562 3.82166
145 2ZO9 MLI 0.004136 0.40476 3.82166
146 1GEX PLP HSA 0.002557 0.40437 3.82166
147 3MMR ABH 0.01501 0.40387 3.82166
148 2Y7G AAE 0.002218 0.40377 3.82166
149 4LTN FMN 0.00946 0.40367 3.82166
150 3FSY SCA 0.006653 0.40304 3.82166
151 1K6M AGS 0.0006448 0.40237 3.82166
152 2PTZ PAH 0.000833 0.40163 3.82166
153 2HVW DDN 0.0006215 0.40141 3.82166
154 1OGZ EQU 0.0003383 0.40474 4
155 2O66 FLC 0.005408 0.41766 4.44444
156 1XE7 GUN 0.0004054 0.50063 4.4586
157 4N7C AEF 0.0002276 0.49318 4.4586
158 2ZWS PLM 0.002182 0.48437 4.4586
159 3MAG 3MA 0.002109 0.47439 4.4586
160 2HFK E4H 0.0003286 0.4626 4.4586
161 4JWX 1N4 0.0004335 0.45762 4.4586
162 3T31 DCQ 0.0009352 0.45257 4.4586
163 3T31 FAD 0.0008487 0.45257 4.4586
164 4LHM AZZ 0.001005 0.44896 4.4586
165 3LZW NAP 0.001619 0.44401 4.4586
166 4M5P MLA 0.009138 0.44109 4.4586
167 1XHL NDP 0.0004981 0.43858 4.4586
168 1Q11 TYE 0.001433 0.43614 4.4586
169 2HXT EHM 0.00005915 0.43263 4.4586
170 1D6H COA 0.001808 0.43087 4.4586
171 2XCG XCG 0.0007802 0.42869 4.4586
172 1GJW MAL 0.001155 0.42857 4.4586
173 4M5P 23W 0.00825 0.42797 4.4586
174 1T10 F6P 0.003136 0.42781 4.4586
175 1B9I PXG 0.0004944 0.42573 4.4586
176 3P7I P7I 0.002659 0.42504 4.4586
177 2PWY SAH 0.0005936 0.42298 4.4586
178 1SOW NAD 0.00155 0.42078 4.4586
179 1I9G SAM 0.003807 0.4205 4.4586
180 2EWM NAD 0.001501 0.41993 4.4586
181 1GV0 NAD 0.001533 0.4182 4.4586
182 1LDM NAD 0.00973 0.41668 4.4586
183 2BGM NAJ 0.008514 0.41496 4.4586
184 1M7Y PPG 0.001895 0.41491 4.4586
185 3DG6 MUC 0.001478 0.41454 4.4586
186 3FPZ AHZ 0.01758 0.41308 4.4586
187 1V1A ADP 0.002213 0.41109 4.4586
188 3MCT SAH 0.00103 0.41098 4.4586
189 2IMP NAI 0.02013 0.41066 4.4586
190 3DAG FEG 0.001829 0.40946 4.4586
191 1Z45 NAD 0.002722 0.40929 4.4586
192 4TMK T5A 0.04065 0.40842 4.4586
193 1I2B UPG 0.01238 0.40716 4.4586
194 1I2B NAD 0.01238 0.40716 4.4586
195 1I2B USQ 0.01238 0.40716 4.4586
196 3TO7 COA 0.005726 0.40704 4.4586
197 1KYQ NAD 0.001125 0.40561 4.4586
198 1OLS TDP 0.009288 0.40486 4.4586
199 1V1A KDG 0.001538 0.40409 4.4586
200 3TXO 07U 0.0005497 0.40345 4.4586
201 3RO7 TDR 0.04327 0.40266 4.4586
202 3W54 RNB 0.0005169 0.4025 4.4586
203 1YBH FAD 0.008714 0.40126 4.4586
204 1Z45 UPG 0.001589 0.40058 4.4586
205 1LC8 33P 0.003752 0.40005 4.4586
206 3KMT SAH 0.0009916 0.42087 5.04202
207 2B4Q NAP 0.000144 0.45493 5.09554
208 2YBQ UP2 0.0007984 0.43639 5.09554
209 2JFV FLC 0.003139 0.43399 5.09554
210 2Z9V PXM 0.001626 0.43388 5.09554
211 3NKS ACJ 0.00009562 0.43277 5.09554
212 1Q0H NDP 0.002185 0.43151 5.09554
213 1Q0H FOM 0.001956 0.43151 5.09554
214 1TIW TFB 0.00127 0.43131 5.09554
215 1TIW FAD 0.00127 0.43131 5.09554
216 2YBQ SAH 0.0003042 0.42687 5.09554
217 1A69 FMB 0.005041 0.42672 5.09554
218 1JIL 485 0.0003418 0.42517 5.09554
219 4M51 BEZ 0.01077 0.4224 5.09554
220 4E28 9MZ 0.005765 0.42226 5.09554
221 3WBF NAP 0.001119 0.42163 5.09554
222 1IYE PGU 0.001731 0.4177 5.09554
223 4OYA 1VE 0.02106 0.41716 5.09554
224 1PEA ACM 0.01411 0.41676 5.09554
225 1R27 MGD 0.002913 0.41571 5.09554
226 4LCQ URQ 0.00186 0.41378 5.09554
227 1M5B BN1 0.01024 0.41181 5.09554
228 2GSD NAD 0.003589 0.41123 5.09554
229 1F5F DHT 0.001053 0.41079 5.09554
230 4GLJ RHB 0.002935 0.41075 5.09554
231 2QV7 ADP 0.001434 0.41049 5.09554
232 4KCF AKM 0.001384 0.4103 5.09554
233 3WBF API 0.003495 0.40926 5.09554
234 1HDR NAD 0.008977 0.40878 5.09554
235 3O2K QRP 0.003918 0.40798 5.09554
236 4M37 SAH 0.0008202 0.40446 5.09554
237 4OE4 NAD 0.003981 0.40404 5.09554
238 4QN7 G39 0.005901 0.40331 5.09554
239 2P1O NLA 0.004013 0.40325 5.09554
240 2P1O IHP 0.004013 0.40325 5.09554
241 3ULK NDP 0.0021 0.40228 5.09554
242 4E28 0MZ 0.01357 0.4005 5.09554
243 1T57 FMN 0.002374 0.40045 5.09554
244 1TUV VK3 0.01254 0.42614 5.26316
245 2QLX RM4 0.003394 0.43916 5.55556
246 3R51 MMA 0.0003081 0.50657 5.625
247 3BHO B4P 0.01006 0.4389 5.73248
248 2O2C G6Q 0.0003326 0.43298 5.73248
249 2R14 FMN 0.0005081 0.4306 5.73248
250 3PNL ADP 0.0003558 0.42871 5.73248
251 2R14 TXD 0.001004 0.4262 5.73248
252 2Q2V NAD 0.001416 0.42351 5.73248
253 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0007078 0.41847 5.73248
254 3PLN U5P 0.003846 0.4184 5.73248
255 4IAE 1DX 0.005402 0.41769 5.73248
256 1J5P NAD 0.001452 0.41611 5.73248
257 2C31 ADP 0.018 0.40947 5.73248
258 2WK1 SAH 0.0004642 0.40639 5.73248
259 1LTH NAD 0.01581 0.40571 5.73248
260 1CKM GTP 0.007026 0.40268 5.73248
261 2TPL HPP 0.002901 0.40245 5.73248
262 3NCQ ATP 0.0006165 0.41857 5.88235
263 3EW2 BTN 0.006674 0.40358 5.92593
264 3QDY A2G GAL 0.0008223 0.47596 6.29371
265 3QDT A2G GAL 0.001473 0.46384 6.29371
266 3QDY CBS 0.002563 0.44477 6.29371
267 1H8G CHT 0.005737 0.46133 6.31579
268 1QF5 RPL 0.0001353 0.47775 6.36943
269 1QF5 GDP 0.0001353 0.47775 6.36943
270 3QV9 QV7 0.0008492 0.4521 6.36943
271 4AT0 FAD 0.0007684 0.44888 6.36943
272 2VDJ HSE 0.004177 0.44215 6.36943
273 3GTD MLI 0.001966 0.43649 6.36943
274 2YC5 6BC 0.000821 0.4347 6.36943
275 2Q09 DI6 0.001309 0.43192 6.36943
276 3U4C NDP 0.0006543 0.42992 6.36943
277 1Y9Q MED 0.004107 0.4288 6.36943
278 1JA9 NDP 0.007562 0.42354 6.36943
279 2ZB3 NDP 0.001085 0.42211 6.36943
280 3P3N AKG 0.007034 0.41842 6.36943
281 1DR1 HBI 0.002878 0.41703 6.36943
282 1DR1 NAP 0.002878 0.41703 6.36943
283 3BL6 FMC 0.0006607 0.41336 6.36943
284 4IXW IXW 0.00532 0.40753 6.36943
285 2R40 20E 0.002055 0.40606 6.36943
286 3K37 BCZ 0.02864 0.40435 6.36943
287 4CMF PXG 0.01305 0.40329 6.36943
288 1U5R ATP 0.002294 0.40325 6.36943
289 2ZYF AKG 0.00696 0.40285 6.36943
290 3LPF Z77 0.003394 0.40159 6.36943
291 3TN7 NJP 0.004254 0.40365 6.61479
292 4B9E FAH 0.003085 0.44107 7.00637
293 3K3K A8S 0.0001787 0.43468 7.00637
294 3ZF8 GDP 0.0009964 0.43105 7.00637
295 2AMV BIN 0.002734 0.42951 7.00637
296 3HU3 AGS 0.005324 0.42578 7.00637
297 2HV8 GTP 0.0005994 0.42465 7.00637
298 4DQ2 BTX 0.0009474 0.4242 7.00637
299 2YPO PHE 0.00139 0.41973 7.00637
300 2G86 UMP 0.005535 0.41687 7.00637
301 4UBP HAE 0.0006488 0.4168 7.00637
302 2WMO GTP 0.001823 0.41122 7.00637
303 1V7R CIT 0.03581 0.40984 7.00637
304 4KCT FDP 0.00279 0.40895 7.00637
305 1O9U ADZ 0.03081 0.40647 7.00637
306 2JBH 5GP 0.0058 0.40602 7.00637
307 1QY1 PRZ 0.001451 0.40591 7.00637
308 3ZOD FMN 0.002626 0.40551 7.00637
309 3ZOD HQE 0.002626 0.40551 7.00637
310 1E2S CSN 0.0006647 0.40049 7.00637
311 2BOI MFU 0.004201 0.41681 7.07965
312 1LNX URI 0.008658 0.40379 7.40741
313 3MB5 SAM 0.0001681 0.47615 7.64331
314 1LVL FAD 0.0001781 0.46889 7.64331
315 1GSA ADP 0.000641 0.45189 7.64331
316 2EB5 OXL 0.001251 0.45171 7.64331
317 1RYI GOA 0.0005993 0.44899 7.64331
318 1TDF NAP 0.002615 0.44334 7.64331
319 3AHC TPP 0.0004859 0.43605 7.64331
320 1YOA FMN 0.019 0.4327 7.64331
321 1TDF FAD 0.00202 0.4319 7.64331
322 4CS4 AXZ 0.001739 0.43151 7.64331
323 2AEB ABH 0.0009357 0.4307 7.64331
324 2V6O FAD 0.006932 0.42742 7.64331
325 4CS4 ANP 0.001545 0.42702 7.64331
326 2X61 NGA GAL SIA 0.004684 0.42515 7.64331
327 4NVP 7CH 0.001721 0.42293 7.64331
328 1G6O ADP 0.0008271 0.42151 7.64331
329 1RYI FAD 0.003222 0.41943 7.64331
330 1D3V ABH 0.0009943 0.41871 7.64331
331 1R37 NAD 0.002205 0.41778 7.64331
332 1GSA GSH 0.003735 0.41702 7.64331
333 2P8B NSK 0.03378 0.41078 7.64331
334 4IOK ADP 0.002234 0.40798 7.64331
335 4IOK XPO 0.001907 0.40549 7.64331
336 3KJI ADP 0.0006743 0.40497 7.64331
337 3IOI 1GW 0.004387 0.40444 7.64331
338 1LVL NAD 0.001696 0.40361 7.64331
339 3BY8 MLT 0.005813 0.42838 7.74648
340 1EXB NDP 0.007073 0.4259 7.76699
341 2IYG FMN 0.002818 0.40879 8.06452
342 1YRX FMN 0.001494 0.41438 8.26446
343 3TKA CTN 0.001051 0.5096 8.28025
344 2WGC SIA GAL BGC 0.01703 0.43533 8.28025
345 1KOL NAD 0.001865 0.42284 8.28025
346 1OTH PAO 0.001427 0.42207 8.28025
347 1X54 4AD 0.0008078 0.42015 8.28025
348 3JQ3 ADP 0.002741 0.414 8.28025
349 3OIG NAD 0.01706 0.4044 8.28025
350 3B96 MYA 0.001535 0.40313 8.28025
351 2E2R 2OH 0.005701 0.40271 8.28025
352 4KQL 1SG 0.02052 0.40248 8.28025
353 3IU9 T07 0.01967 0.40129 8.28025
354 3OIG IMJ 0.006019 0.40068 8.28025
355 3OND NAD 0.0007329 0.44967 8.9172
356 3OND ADN 0.0007329 0.44967 8.9172
357 1G8S MET 0.002337 0.43967 8.9172
358 3F3E LEU 0.0007261 0.43913 8.9172
359 2ZJF BSU 0.0007164 0.43661 8.9172
360 1SB8 NAD 0.001671 0.43597 8.9172
361 2C7G FAD 0.002433 0.43554 8.9172
362 4W6Z 8ID 0.001167 0.43033 8.9172
363 1C0I BE2 0.002297 0.42884 8.9172
364 1C0I FAD 0.002297 0.42884 8.9172
365 2QDT I38 0.0001439 0.42541 8.9172
366 3WE0 FAD 0.002758 0.42394 8.9172
367 4UAL 3FV 0.0002818 0.42125 8.9172
368 2C7G ODP 0.006197 0.41891 8.9172
369 2YYJ FAD 0.0146 0.41741 8.9172
370 2YYJ 4HP 0.0146 0.41741 8.9172
371 4G1V FAD 0.00153 0.41531 8.9172
372 1H0C AOA 0.01168 0.41438 8.9172
373 2AE2 PTO 0.004612 0.41259 8.9172
374 2AE2 NAP 0.004612 0.41259 8.9172
375 1SB8 UD2 0.01278 0.40516 8.9172
376 2HW1 ANP 0.001788 0.40282 8.9172
377 1T0S BML 0.0002696 0.49913 9.55414
378 2J7T 274 0.0005427 0.43281 9.55414
379 1Q3Q ANP 0.003415 0.43053 9.55414
380 1VDC FAD 0.002478 0.42941 9.55414
381 3BAZ NAP 0.0006315 0.42561 9.55414
382 3KJQ B94 0.001434 0.41983 9.55414
383 4RJK PYR 0.01257 0.41916 9.55414
384 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.006352 0.41498 9.55414
385 2V7T SAH 0.02049 0.41419 9.55414
386 1ZJ6 G3D 0.002947 0.40805 9.55414
387 2PP3 LGT 0.00237 0.40706 9.55414
388 1EZV SMA 0.002469 0.40645 9.55414
389 1UWZ THU 0.0003001 0.41443 9.55882
390 2FR6 CTN 0.0003727 0.42169 9.58904
391 2FR6 URI 0.001476 0.40166 9.58904
392 4AF0 IMP 0.0001206 0.47965 10.1911
393 3ZPG 5GP 0.003047 0.4569 10.1911
394 1I0Z OXM 0.005331 0.44475 10.1911
395 1ZFJ IMP 0.0153 0.42217 10.1911
396 4IVG ANP 0.005456 0.41794 10.1911
397 4M7F BM3 0.005502 0.41196 10.1911
398 4CCO OGA 0.007371 0.40669 10.1911
399 4B7J G39 0.005451 0.40225 10.1911
400 1FP1 SAH 0.0008869 0.40018 10.1911
401 4EXO PYR 0.002466 0.45312 10.274
402 2C1Q BTN 0.008882 0.40095 10.3175
403 2WCI GSH 0.01215 0.40257 10.3704
404 4JP3 CIT 0.001109 0.42736 10.828
405 1JQ5 NAD 0.03122 0.41785 10.828
406 3BRE C2E 0.01273 0.40694 10.828
407 1YAG ATP 0.001829 0.40612 10.828
408 4MWV BCZ 0.00609 0.40499 10.828
409 1SNY NAP 0.003066 0.40314 10.828
410 4PLG OXM 0.007321 0.40203 10.828
411 4PLG NAI 0.007321 0.40203 10.828
412 4C25 13P 0.004406 0.40044 10.828
413 3TA2 AKG 0.002627 0.40844 11.0169
414 2YLD CMO 0.008289 0.41525 11.0236
415 3DDC GNP 0.0003346 0.43525 11.465
416 1F8F NAD 0.008493 0.41356 11.465
417 1P4C FMN 0.0133 0.41248 11.465
418 4R33 TRP 0.002891 0.41226 11.465
419 4R33 SAH 0.002891 0.41226 11.465
420 3MD0 GDP 0.005198 0.40793 11.465
421 4O8A FAD 0.003928 0.4049 11.465
422 1IUP ALQ 0.003646 0.40474 11.465
423 1Y75 NAG 0.002795 0.41874 11.8644
424 1FIQ SAL 0.001035 0.42711 12.1019
425 1FIQ MTE 0.000864 0.42711 12.1019
426 4N02 FNR 0.00636 0.41695 12.1019
427 1FIQ FAD 0.0024 0.41643 12.1019
428 3PJU C2E 0.002817 0.40444 12.1019
429 5RHN 8BR 0.0008081 0.41931 12.1739
430 1TU3 GNP 0.0006656 0.42481 12.6582
431 3PC3 P1T 0.0004362 0.42368 12.7389
432 3FXU TSU 0.0009912 0.41706 12.7389
433 4U36 TNR 0.001557 0.41024 12.7389
434 4F8L GAL 0.03351 0.41904 13.1034
435 1ULE GLA GAL NAG 0.001893 0.45862 13.3333
436 4NAO AKG 0.001803 0.45182 13.3758
437 4GQB 0XU 0.001853 0.43772 14.0127
438 1WDA BAG 0.001247 0.43276 14.0127
439 1QO0 BMD 0.004146 0.42862 14.0127
440 1TOI HCI 0.002305 0.41046 14.0127
441 1Z4V DAN 0.003742 0.40415 14.0127
442 4C6F NCD 0.0006781 0.43753 14.6497
443 4C6F DOR 0.0006781 0.43753 14.6497
444 3GJB AKG 0.001995 0.4246 14.6497
445 3CQ5 PMP 0.0004899 0.44901 15.2866
446 1TB4 PEJ 0.00302 0.40767 15.2866
447 2XDQ MGX 0.0007173 0.48826 15.9236
448 1ZK7 FAD 0.0006061 0.45086 15.9236
449 3PVT 3HC 0.001426 0.42831 15.9236
450 1P9P SAH 0.0004939 0.42383 16.5605
451 4WVH ASP HIS ASP ALA HIS ALA 0.003524 0.4147 17.1975
452 2RDT 2RD 0.007438 0.4226 17.8344
453 2RDT FMN 0.01441 0.40457 17.8344
454 1RM4 NDP 0.003054 0.4032 17.8344
455 2IXB A2G 0.0008386 0.438 18.4713
456 2IXB NAD 0.0004716 0.438 18.4713
457 2W3L DRO 0.0005187 0.49528 18.75
458 2NCD ADP 0.005025 0.41903 19.1083
459 2DKH 3HB 0.002952 0.41879 19.7452
460 2DKH FAD 0.00191 0.41879 19.7452
461 1LYX PGA 0.0006191 0.40344 19.7452
462 4INB 1F6 0.0001816 0.43444 19.863
463 2XVE FAD 0.02109 0.402 20.3822
464 1EP2 ORO 0.001052 0.42949 21.0191
465 1EP2 FAD 0.000982 0.41544 21.0191
466 1C1L GAL BGC 0.007131 0.42429 21.1679
467 3VHZ L2P GLC MAN SGA 0.003259 0.43727 21.6561
468 2IZ1 ATR 0.008222 0.4154 21.6561
469 3K5X P8D 0.0001563 0.41147 21.6561
470 3S9K CIT 0.02737 0.4192 22.0339
471 3B1F NAD 0.0005798 0.42145 23.5669
472 4B8V NDG NAG NAG NAG 0.001026 0.41987 23.5669
473 1UOU CMU 0.0003163 0.43898 24.8408
474 1F1V DHY 0.0007468 0.44168 31.8471
Pocket No.: 7; Query (leader) PDB : 2F59; Ligand: INI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2f59.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2F59; Ligand: INI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2f59.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2F59; Ligand: INI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2f59.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2F59; Ligand: INI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2f59.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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