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Receptor
PDB id Resolution Class Description Source Keywords
3MJY 1.96 Å EC: 1.3.3.1 CRYSTAL STRUCTURE OF DIHYDROOROTATE DEHYDROGENASE FROM LEISH MAJOR IN COMPLEX WITH 5-AMINOOROTIC ACID LEISHMANIA MAJOR DIHYDROOROTATE DEHYDROGENASE PYRD OXIDOREDUCTASE
Ref.: NOVEL INSIGHTS FOR DIHYDROOROTATE DEHYDROGENASE CLA INHIBITORS DISCOVERY. EUR.J.MED.CHEM. V. 45 5899 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:313;
B:313;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
GOL A:315;
A:316;
A:317;
B:315;
B:316;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
IJZ A:314;
B:314;
Valid;
Valid;
none;
none;
Ki = 82.8 uM
171.111 C5 H5 N3 O4 C1(=C...
SO4 A:318;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MJY 1.96 Å EC: 1.3.3.1 CRYSTAL STRUCTURE OF DIHYDROOROTATE DEHYDROGENASE FROM LEISH MAJOR IN COMPLEX WITH 5-AMINOOROTIC ACID LEISHMANIA MAJOR DIHYDROOROTATE DEHYDROGENASE PYRD OXIDOREDUCTASE
Ref.: NOVEL INSIGHTS FOR DIHYDROOROTATE DEHYDROGENASE CLA INHIBITORS DISCOVERY. EUR.J.MED.CHEM. V. 45 5899 2010
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4EF8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3MJY Ki = 82.8 uM IJZ C5 H5 N3 O4 C1(=C(NC(=....
3 4EF9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3MHU Ki = 212.93 uM EJZ C5 H3 N3 O6 C1(=C(NC(=....
5 3TQ0 - FUM C4 H4 O4 C(=C/C(=O)....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3C3N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2E6D - FUM C4 H4 O4 C(=C/C(=O)....
3 4WZH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1JQX Kd = 95 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
5 1JQV Kd = 117 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
6 2DOR - ORO C5 H4 N2 O4 C1=C(NC(=O....
7 1DOR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1JRB Kd = 1450 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
9 1JUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1OVD Kd = 7.6 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
11 1JRC Kd = 44 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
12 2BX7 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 2BSL Kd = 8 uM DHB C7 H6 O4 c1cc(c(cc1....
14 1JUB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 4EF8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 3MJY Ki = 82.8 uM IJZ C5 H5 N3 O4 C1(=C(NC(=....
17 4EF9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 3MHU Ki = 212.93 uM EJZ C5 H3 N3 O6 C1(=C(NC(=....
19 3TQ0 - FUM C4 H4 O4 C(=C/C(=O)....
20 2B4G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 5XFV Kd = 0.000000012 uM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3C3N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2E6D - FUM C4 H4 O4 C(=C/C(=O)....
3 4WZH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1JQX Kd = 95 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
5 1JQV Kd = 117 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
6 2DOR - ORO C5 H4 N2 O4 C1=C(NC(=O....
7 1DOR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1JRB Kd = 1450 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
9 1JUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1OVD Kd = 7.6 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
11 1JRC Kd = 44 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
12 2BX7 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 2BSL Kd = 8 uM DHB C7 H6 O4 c1cc(c(cc1....
14 1JUB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 4EF8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 3MJY Ki = 82.8 uM IJZ C5 H5 N3 O4 C1(=C(NC(=....
17 4EF9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 3MHU Ki = 212.93 uM EJZ C5 H3 N3 O6 C1(=C(NC(=....
19 3TQ0 - FUM C4 H4 O4 C(=C/C(=O)....
20 2B4G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 5XFV Kd = 0.000000012 uM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 3OIX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
Ligand no: 2; Ligand: IJZ; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 IJZ 1 1
2 FOT 0.487179 0.86
3 EJZ 0.409091 0.775862
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MJY; Ligand: FMN; Similar sites found with APoc: 253
This union binding pocket(no: 1) in the query (biounit: 3mjy.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 5O0Z 9GB None
2 1ONX ASP 0.867052
3 2WCV FUC 1.42857
4 2HSA FMN 1.7341
5 2OO0 PLP 1.7341
6 4K91 SIN 1.7341
7 5IFK HPA 1.92308
8 4YMZ 13P 1.99203
9 4XP7 FNR 2.02312
10 2Q3O FMN 2.02312
11 2ZRU FMN 2.02312
12 4IP7 FLC 2.02312
13 3W9Z FMN 2.17391
14 5EO8 TFU 2.2508
15 5GZ9 MAN 2.29508
16 2R14 FMN 2.31214
17 2R14 TXD 2.31214
18 1OFD AKG 2.31214
19 1OFD FMN 2.31214
20 2GOU FMN 2.31214
21 3BJE R1P 2.31214
22 5WS9 OXL 2.31214
23 5JXZ ISJ 2.31214
24 5JXZ ISC 2.31214
25 5JY4 ISC 2.31214
26 6C4A PYR 2.31214
27 2BTM PGA 2.38095
28 2GMP NAG MAN 2.38095
29 3UUA 0CZ 2.39044
30 4TWL ASC 2.43902
31 1QPR PHT 2.46479
32 1M5W DXP 2.46914
33 3QPB R1P 2.48227
34 5TCI MLI 2.53623
35 4PVR ASP 2.58065
36 4JIQ FMN 2.60116
37 4JIQ 1L5 2.60116
38 6BFG FMN 2.60116
39 1SQL GUN 2.73973
40 3BP1 GUN 2.75862
41 2H8Z FMN 2.78552
42 2H8Z 8CM 2.78552
43 3V1S 0LH 2.79503
44 1LYX PGA 2.82258
45 2YPI PGA 2.83401
46 1VYP TNF 2.89017
47 5ULJ 0WD 2.89017
48 1VYP FMN 2.89017
49 2VHL GLP 2.89017
50 3PDT ADP 2.90909
51 1JG3 ADN 2.97872
52 4CW5 FMN 3.17919
53 1OYB HBA 3.17919
54 1OYB FMN 3.17919
55 5HTX ADP 3.17919
56 3HQP FDP 3.17919
57 3MD0 GDP 3.17919
58 3P9T TCL 3.19635
59 4EZW ASN ARG LEU LEU LEU THR GLY 3.19635
60 2GJN NIS 3.35366
61 2GJN FMN 3.35366
62 1LVW TYD 3.38983
63 4WUJ FMN 3.40136
64 1VHN FMN 3.45912
65 2OEM 1AE 3.46821
66 3WCS MAN NAG 3.54331
67 3WCS MAN NAG GAL 3.54331
68 4XDA ADP 3.55987
69 4XDA RIB 3.55987
70 3N9R TD3 3.58306
71 3CF6 SP1 3.59281
72 5EYW PGA 3.61446
73 3UDG TMP 3.65448
74 1PS9 FMN 3.75723
75 1KKR 2AS 3.75723
76 1SO0 GAL 3.77907
77 3BW2 FMN 3.79404
78 5GVH FMN 3.82166
79 1VMK GUN 3.97112
80 2HW1 FRU 4.02685
81 1NX4 AKG 4.0293
82 4TMC FMN 4.04624
83 4TMC HBA 4.04624
84 6BVE PGA 4.04624
85 5M45 AMP 4.04624
86 2BO4 FLC 4.04624
87 2B4D COA 4.09357
88 3TAO PGH 4.11985
89 4HBM 0Y7 4.16667
90 1W8S FBP 4.18251
91 2Z6I FMN 4.21687
92 1O5Q PYR 4.2623
93 2Q3R FMN 4.33526
94 4A3U FMN 4.33526
95 2OG7 SIN 4.33526
96 6M7X JD7 4.33526
97 2PW0 TRC 4.33526
98 4AMV F6R 4.33526
99 2B1N LYS ALA SER VAL GLY 4.47154
100 4JEJ 1GP 4.5082
101 2Z6J FMN 4.51807
102 3QH2 3NM 4.52489
103 3EXS 5RP 4.52489
104 1KBI FMN 4.62428
105 1KBI PYR 4.62428
106 4M5P FMN 4.62428
107 1KBJ FMN 4.62428
108 1CM0 COA 4.7619
109 3QXV MTX 4.7619
110 4FGC PQ0 4.84848
111 4UTU LRY 4.91329
112 4UTW RFW 4.91329
113 1ME8 RVP 4.91329
114 1PVN MZP 4.91329
115 2A19 ANP 4.92958
116 4NTM 2K8 4.95868
117 1D1Q 4NP 4.96894
118 3SCH TB6 5.05051
119 2YIP YIO 5.07246
120 5EW0 3C7 5.12821
121 2NLI LAC 5.20231
122 2NLI FMN 5.20231
123 4I9A NCN 5.20231
124 1DQN IMU 5.21739
125 1SW0 PGA 5.24194
126 5XXS COA 5.30303
127 4MN7 SME 5.36913
128 4PPF FLC 5.49133
129 1DJN FMN 5.49133
130 3ZZH NLG 5.49133
131 2ZUX RAM 5.49133
132 5E5U MLT 5.52764
133 5UC9 MYR 5.75221
134 2WQ4 SFU 5.76923
135 3G5N PB2 5.78035
136 2C6Q IMP 5.78035
137 4NTK ZSP 5.78512
138 1JQY A32 5.82524
139 2JK0 ASP 5.84615
140 3ITJ CIT 5.91716
141 3A75 GLU 5.94595
142 2WW4 ADP 6.00707
143 3NC9 TR3 6.07029
144 2DBX GLU 6.31579
145 5OCS FMN 6.35838
146 1P4C FMN 6.35838
147 4AF0 IMP 6.35838
148 2QMC GTB 6.35838
149 4GV8 DUP 6.50888
150 4UEC MGT 6.52174
151 2FJK 13P 6.55738
152 4USF 6UI 6.57895
153 4BI7 PGA 6.61479
154 2RDT FMN 6.6474
155 2RDT 2RD 6.6474
156 2GMH UQ5 6.6474
157 5LA1 XYP 6.6474
158 3G6M CFF 6.6474
159 4JUI EGR 6.6474
160 3KJQ B94 6.70732
161 2DTJ THR 6.74157
162 2OL1 UMP 6.80272
163 5EQU AKG 6.88525
164 4N02 FNR 6.93642
165 6DVH FMN 6.93642
166 4M26 AKG 6.93642
167 5KJW 53C 6.93642
168 1NJJ ORX 6.93642
169 2XYA 7L4 7.14286
170 3LEK BCW 7.18954
171 1ICP FMN 7.22543
172 1FDJ 13P 7.22543
173 2G50 PYR 7.22543
174 1FDJ 2FP 7.22543
175 4IXH IMP 7.22543
176 5TQZ GLC 7.33333
177 5TG5 JW8 7.34694
178 3HF3 FMN 7.51445
179 1XXA ARG 7.69231
180 2FLI DX5 7.72727
181 5AHN IMP 7.80347
182 4EWN 0VR 7.90514
183 3ENV ABF 8.08511
184 1Y13 BIO 8.28729
185 1Q6O LG6 8.33333
186 5HWV MBN 8.46154
187 4C1W SLT 8.51064
188 6BKA FMN 8.67052
189 3GLC R5P 8.81356
190 4QNW FMN 8.95954
191 4Q4K FMN 8.95954
192 3VGL ANP 9.03427
193 3KRU FMN 9.0379
194 3ATY FMN 9.24856
195 4FFG 0U8 9.24856
196 1Z42 FMN 9.46746
197 1Z41 FMN 9.46746
198 1Z44 FMN 9.46746
199 1Z48 FMN 9.46746
200 3AXK NDP 9.53757
201 4J25 OGA 9.60699
202 5Z49 RUB 9.62343
203 6HT0 GQ8 9.67742
204 2F6U CIT 9.82906
205 1O9W NAG 10.1695
206 1QDS PGA 10.3586
207 4JGT PYR 10.3679
208 3FAL REA 10.9023
209 3B0P FMN 10.9827
210 4NAE 1GP 11.1111
211 1VC9 ATP 11.1111
212 4NSQ COA 11.5789
213 1TRD PGH 11.6
214 3SAO DBH 11.875
215 1UJP CIT 12.1771
216 5DKK FMN 12.4138
217 1TV5 FMN 12.4277
218 1TV5 ORO 12.4277
219 1BO4 COA 12.5
220 1ZFJ IMP 12.7168
221 3AB4 THR 12.9213
222 2AJ4 GLA 13.0058
223 3WBG 2AN 13.0719
224 5CSS G3P 13.2743
225 1GVF PGH 13.2867
226 5AHM IMP 13.2948
227 1TIQ COA 13.3333
228 5NC1 NAG 13.5021
229 4K7O EKZ 13.6905
230 4PU6 ASP 13.7405
231 1YNS HPO 13.7931
232 5LU5 M7P 14.7208
233 3OVR 5SP 15.3509
234 4TQK NAG 15.6069
235 1AL8 FMN 15.896
236 1AL8 DHP 15.896
237 1TB3 FMN 17.6301
238 1NBU PH2 19.3277
239 2QX0 PH2 19.4969
240 1M26 GAL A2G 19.5489
241 3N5C GDP 19.7531
242 1X9I G6Q 21.1921
243 1GTE IUR 23.6994
244 1GTE FMN 23.6994
245 4ORM FMN 36.9942
246 4ORM 2V6 36.9942
247 4ORM ORO 36.9942
248 4IGH 1EA 39.0173
249 4IGH ORO 39.0173
250 4IGH FMN 39.0173
251 1UUO BRF 40.1734
252 1UUO ORO 40.1734
253 1UUO FMN 40.1734
Pocket No.: 2; Query (leader) PDB : 3MJY; Ligand: IJZ; Similar sites found with APoc: 312
This union binding pocket(no: 2) in the query (biounit: 3mjy.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 5T9C G3P 0.746269
3 2UXR ICT 1.15607
4 2WCV FUC 1.42857
5 5YJS SAL 1.44509
6 2HSA FMN 1.7341
7 2OO0 PLP 1.7341
8 1BXG HCI 1.7341
9 1V6A TRE 1.80723
10 5IFK HPA 1.92308
11 4YMZ 13P 1.99203
12 4XP7 FNR 2.02312
13 2Q3O FMN 2.02312
14 2ZRU FMN 2.02312
15 1GYM MYG 2.02312
16 2ZTG A5A 2.02312
17 4IP7 FLC 2.02312
18 1SVM ATP 2.02312
19 2RI1 GLP 2.12766
20 3W9Z FMN 2.17391
21 4D4U FUC 2.22222
22 4XJ7 ADN 2.24719
23 5EO8 TFU 2.2508
24 5GZ9 MAN 2.29508
25 3UWV 2PG 2.29885
26 2R14 FMN 2.31214
27 2R14 TXD 2.31214
28 1OFD AKG 2.31214
29 2GOU FMN 2.31214
30 1OFD FMN 2.31214
31 3DGB MUC 2.31214
32 3BJE R1P 2.31214
33 2XSB GDL 2.31214
34 5JXZ ISC 2.31214
35 5JXZ ISJ 2.31214
36 5JY4 ISC 2.31214
37 5WS9 OXL 2.31214
38 6C4A PYR 2.31214
39 4D9C PMP 2.33918
40 3CEV ARG 2.34114
41 2BTM PGA 2.38095
42 1M5W DXP 2.46914
43 3QPB R1P 2.48227
44 2PAR TMP 2.48756
45 5W6Y TRP 2.53165
46 5TCI MLI 2.53623
47 4JIQ FMN 2.60116
48 4JIQ 1L5 2.60116
49 6BFG FMN 2.60116
50 2EV9 SKM 2.6616
51 1SQL GUN 2.73973
52 2XZ9 PYR 2.77778
53 2H8Z FMN 2.78552
54 2H8Z 8CM 2.78552
55 1LYX PGA 2.82258
56 2YPI PGA 2.83401
57 1VYP TNF 2.89017
58 1VYP FMN 2.89017
59 1F6D UDP 2.92553
60 5F1V 3VN 3.0303
61 5CIC 51R 3.06122
62 4CW5 FMN 3.17919
63 1OYB HBA 3.17919
64 1OYB FMN 3.17919
65 3HQP FDP 3.17919
66 5THY SAH 3.17919
67 3MD0 GDP 3.17919
68 5HTX ADP 3.17919
69 4EZW ASN ARG LEU LEU LEU THR GLY 3.19635
70 3PTG 932 3.30579
71 2GJN NIS 3.35366
72 2GJN FMN 3.35366
73 1LVW TYD 3.38983
74 1VHN FMN 3.45912
75 4EIL FOL 3.46821
76 2Q4V ACO 3.52941
77 3WCS MAN NAG 3.54331
78 3WCS MAN NAG GAL 3.54331
79 4XDA RIB 3.55987
80 3N9R TD3 3.58306
81 4BHN BH9 3.59281
82 5EYW PGA 3.61446
83 1PS9 FMN 3.75723
84 1KKR 2AS 3.75723
85 3KIF GDL 3.77358
86 1SO0 GAL 3.77907
87 5FUI APY 3.78788
88 3BW2 FMN 3.79404
89 3HMO STU 3.80117
90 5GVH FMN 3.82166
91 3CTL S6P 3.8961
92 1VMK GUN 3.97112
93 1NX4 AKG 4.0293
94 6BVE PGA 4.04624
95 4TMC FMN 4.04624
96 4TMC HBA 4.04624
97 2BO4 FLC 4.04624
98 5CX6 CDP 4.04624
99 5GJO PLP 4.06091
100 2B4B COA 4.09357
101 2B4D COA 4.09357
102 3TAO PGH 4.11985
103 3KIH GDL 4.12371
104 5C2N NAG 4.16667
105 4HBM 0Y7 4.16667
106 1W8S FBP 4.18251
107 2Z6I FMN 4.21687
108 1O5Q PYR 4.2623
109 2Q3R FMN 4.33526
110 4A3U FMN 4.33526
111 2OG7 SIN 4.33526
112 6M7X JD7 4.33526
113 4AMV F6R 4.33526
114 4D86 ADP 4.33526
115 2B1N LYS ALA SER VAL GLY 4.47154
116 4JEJ 1GP 4.5082
117 2Z6J FMN 4.51807
118 3QH2 3NM 4.52489
119 3EXS 5RP 4.52489
120 5ZI9 FLC 4.61538
121 1KBI PYR 4.62428
122 1KBI FMN 4.62428
123 4M5P FMN 4.62428
124 1KBJ FMN 4.62428
125 2OG2 MLI 4.62428
126 3AI8 HNQ 4.6875
127 3QXV MTX 4.7619
128 4FGC PQ0 4.84848
129 1IR1 CAP 4.87805
130 4UTU LRY 4.91329
131 4UTW RFW 4.91329
132 1PVN MZP 4.91329
133 1ME8 RVP 4.91329
134 5E4R 40E 4.91329
135 5WXU FLC 4.91329
136 2A19 ANP 4.92958
137 4XDZ 40E 4.95627
138 4NTM 2K8 4.95868
139 1D1Q 4NP 4.96894
140 2NLI LAC 5.20231
141 2NLI FMN 5.20231
142 4I9A NCN 5.20231
143 1SW0 PGA 5.24194
144 3VKC FPQ 5.24476
145 5XXS COA 5.30303
146 5JBX MLI 5.36398
147 1JCM 137 5.40541
148 4PPF FLC 5.49133
149 1DJN FMN 5.49133
150 3ZZH NLG 5.49133
151 1UZD CAP 5.49133
152 1V1A KDG 5.50162
153 1Y2F WAI 5.7554
154 3G5N PB2 5.78035
155 2C6Q IMP 5.78035
156 2YKX AKG 5.78035
157 2C6Q NDP 5.78035
158 4NTK ZSP 5.78512
159 1JQY A32 5.82524
160 2JK0 ASP 5.84615
161 3GAY P6T 5.88235
162 3ITJ CIT 5.91716
163 3A75 GLU 5.94595
164 2WW4 ADP 6.00707
165 2W5P CL8 6.04027
166 3NC9 TR3 6.07029
167 3P7G MAN 6.16438
168 5OCS FMN 6.35838
169 4AF0 IMP 6.35838
170 1P4C FMN 6.35838
171 2QMC GTB 6.35838
172 4V15 PLP 6.35838
173 2VAR AMP 6.38978
174 4GV8 DUP 6.50888
175 1BWV CAP 6.52174
176 2FJK 13P 6.55738
177 1UZH CAP 6.55738
178 4USF 6UI 6.57895
179 5O74 GDP 6.59898
180 4BI7 PGA 6.61479
181 4RW3 IPD 6.62252
182 2RDT FMN 6.6474
183 2RDT 2RD 6.6474
184 4IEE AGS 6.6474
185 2GMH UQ5 6.6474
186 1OX5 1PR 6.6474
187 4JUI EGR 6.6474
188 5LA1 XYP 6.6474
189 2DTJ THR 6.74157
190 4Y4V DAL 6.78466
191 2OL1 UMP 6.80272
192 5EQU AKG 6.88525
193 4N02 FNR 6.93642
194 6DVH FMN 6.93642
195 5KJW 53C 6.93642
196 4M26 AKG 6.93642
197 6FA4 D1W 6.93642
198 1NVM OXL 6.93642
199 1NJJ ORX 6.93642
200 3LEK BCW 7.18954
201 1ICP FMN 7.22543
202 1FDJ 13P 7.22543
203 4IXH IMP 7.22543
204 2G50 PYR 7.22543
205 1FDJ 2FP 7.22543
206 1RBL CAP 7.33945
207 1XXR MAN 7.45342
208 3HF3 FMN 7.51445
209 1FUR MLT 7.51445
210 1YP4 ADP 7.51445
211 1C3X 8IG 7.5188
212 1XXA ARG 7.69231
213 2FLI DX5 7.72727
214 5AHN IMP 7.80347
215 5J5R 6G1 7.80347
216 5J5R IMP 7.80347
217 5FPE 3TR 7.80347
218 5ZCT ANP 7.84314
219 4EWN 0VR 7.90514
220 5N9Z CAP 7.91367
221 5TV6 PML 7.91667
222 3GUZ PAF 7.95455
223 2JBH 5GP 8
224 4NPT 017 8.08081
225 4Z0G 5GP 8.09249
226 1T9D P22 8.09249
227 4M3P HCS 8.09249
228 4FL0 PLP 8.09249
229 1Y13 BIO 8.28729
230 1Q6O LG6 8.33333
231 5HWV MBN 8.46154
232 1APZ ASP 8.64198
233 6BKA FMN 8.67052
234 3GLC R5P 8.81356
235 4QNW FMN 8.95954
236 4Q4K FMN 8.95954
237 3VGL ANP 9.03427
238 3KRU FMN 9.0379
239 3ESS 18N 9.13043
240 2V8W MGO 9.21659
241 3ATY FMN 9.24856
242 4FFG 0U8 9.24856
243 1TL2 NDG 9.32203
244 1Z44 FMN 9.46746
245 1Z48 FMN 9.46746
246 1Z42 FMN 9.46746
247 1Z41 FMN 9.46746
248 1WDD CAP 9.53757
249 4J25 OGA 9.60699
250 2F6U CIT 9.82906
251 5A5W GUO 9.88142
252 1VKF CIT 10.1064
253 1QDS PGA 10.3586
254 3E3U NVC 10.4046
255 5TE1 7A2 10.6936
256 5ZCO CHD 10.7143
257 1FHW I5P 10.8527
258 3B0P FMN 10.9827
259 2TPS TPS 11.0132
260 4NAE 1GP 11.1111
261 5KZD RCJ 11.2628
262 1FRW GTP 11.3402
263 2V6A CAP 11.4286
264 2V67 CAP 11.4286
265 2V68 CAP 11.4286
266 2VDH CAP 11.4286
267 2V63 CAP 11.4286
268 1IR2 CAP 11.4286
269 4NSQ COA 11.5789
270 1TRD PGH 11.6
271 4JLS 3ZE 11.8421
272 5B3A 0JO 11.8497
273 3SAO DBH 11.875
274 3NZ1 3NY 11.8774
275 1UJP CIT 12.1771
276 1RE0 GDP 12.1951
277 5OYA CAP 12.2302
278 5YRV 5AD 12.4088
279 1TV5 FMN 12.4277
280 1TV5 ORO 12.4277
281 1BO4 COA 12.5
282 1ZFJ IMP 12.7168
283 3H0L ADP 12.766
284 3AB4 THR 12.9213
285 5CSS G3P 13.2743
286 1GVF PGH 13.2867
287 5AHM IMP 13.2948
288 2E27 AB0 13.4454
289 5NC1 NAG 13.5021
290 4RJD TFP 13.6364
291 4K7O EKZ 13.6905
292 3OVR 5SP 15.3509
293 4TQK NAG 15.6069
294 1AL8 FMN 15.896
295 1AL8 DHP 15.896
296 2QRD ADP 16.7883
297 1TB3 FMN 17.6301
298 3IWD M2T 17.6471
299 1M26 GAL A2G 19.5489
300 3N5C GDP 19.7531
301 1X9I G6Q 21.1921
302 1GTE IUR 23.6994
303 1GTE FMN 23.6994
304 4ORM 2V6 36.9942
305 4ORM ORO 36.9942
306 4ORM FMN 36.9942
307 4IGH FMN 39.0173
308 4IGH ORO 39.0173
309 4IGH 1EA 39.0173
310 1UUO FMN 40.1734
311 1UUO ORO 40.1734
312 1UUO BRF 40.1734
Pocket No.: 3; Query (leader) PDB : 3MJY; Ligand: FMN; Similar sites found with APoc: 117
This union binding pocket(no: 3) in the query (biounit: 3mjy.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 5T9C G3P 0.746269
3 2UXR ICT 1.15607
4 5YJS SAL 1.44509
5 1BXG HCI 1.7341
6 1V6A TRE 1.80723
7 1GYM MYG 2.02312
8 2ZTG A5A 2.02312
9 1SVM ATP 2.02312
10 2RI1 GLP 2.12766
11 4D4U FUC 2.22222
12 4XJ7 ADN 2.24719
13 3UWV 2PG 2.29885
14 3DGB MUC 2.31214
15 2XSB GDL 2.31214
16 4D9C PMP 2.33918
17 3CEV ARG 2.34114
18 2PAR TMP 2.48756
19 5W6Y TRP 2.53165
20 2EV9 SKM 2.6616
21 2XZ9 PYR 2.77778
22 1F6D UDP 2.92553
23 5F1V 3VN 3.0303
24 5CIC 51R 3.06122
25 5THY SAH 3.17919
26 3PTG 932 3.30579
27 4EIL FOL 3.46821
28 2Q4V ACO 3.52941
29 4BHN BH9 3.59281
30 3KIF GDL 3.77358
31 5FUI APY 3.78788
32 3HMO STU 3.80117
33 3CTL S6P 3.8961
34 5CX6 CDP 4.04624
35 5GJO PLP 4.06091
36 2B4B COA 4.09357
37 3KIH GDL 4.12371
38 5C2N NAG 4.16667
39 4D86 ADP 4.33526
40 5ZI9 FLC 4.61538
41 2OG2 MLI 4.62428
42 3AI8 HNQ 4.6875
43 1IR1 CAP 4.87805
44 5E4R 40E 4.91329
45 5WXU FLC 4.91329
46 4XDZ 40E 4.95627
47 3VKC FPQ 5.24476
48 5JBX MLI 5.36398
49 1JCM 137 5.40541
50 1UZD CAP 5.49133
51 1V1A KDG 5.50162
52 1Y2F WAI 5.7554
53 2YKX AKG 5.78035
54 2C6Q NDP 5.78035
55 3GAY P6T 5.88235
56 2W5P CL8 6.04027
57 3P7G MAN 6.16438
58 4V15 PLP 6.35838
59 2VAR AMP 6.38978
60 1BWV CAP 6.52174
61 1UZH CAP 6.55738
62 5O74 GDP 6.59898
63 4RW3 IPD 6.62252
64 4IEE AGS 6.6474
65 1OX5 1PR 6.6474
66 4Y4V DAL 6.78466
67 6FA4 D1W 6.93642
68 1NVM OXL 6.93642
69 1RBL CAP 7.33945
70 1XXR MAN 7.45342
71 1FUR MLT 7.51445
72 1YP4 ADP 7.51445
73 1C3X 8IG 7.5188
74 5J5R 6G1 7.80347
75 5J5R IMP 7.80347
76 5FPE 3TR 7.80347
77 5ZCT ANP 7.84314
78 5N9Z CAP 7.91367
79 5TV6 PML 7.91667
80 3GUZ PAF 7.95455
81 2JBH 5GP 8
82 4NPT 017 8.08081
83 4Z0G 5GP 8.09249
84 1T9D P22 8.09249
85 4M3P HCS 8.09249
86 4FL0 PLP 8.09249
87 1APZ ASP 8.64198
88 3ESS 18N 9.13043
89 2V8W MGO 9.21659
90 1TL2 NDG 9.32203
91 1WDD CAP 9.53757
92 5A5W GUO 9.88142
93 1VKF CIT 10.1064
94 3E3U NVC 10.4046
95 5TE1 7A2 10.6936
96 5ZCO CHD 10.7143
97 1FHW I5P 10.8527
98 2TPS TPS 11.0132
99 5KZD RCJ 11.2628
100 1FRW GTP 11.3402
101 2V6A CAP 11.4286
102 2V67 CAP 11.4286
103 2V68 CAP 11.4286
104 2VDH CAP 11.4286
105 2V63 CAP 11.4286
106 1IR2 CAP 11.4286
107 4JLS 3ZE 11.8421
108 5B3A 0JO 11.8497
109 3NZ1 3NY 11.8774
110 1RE0 GDP 12.1951
111 5OYA CAP 12.2302
112 5YRV 5AD 12.4088
113 3H0L ADP 12.766
114 2E27 AB0 13.4454
115 4RJD TFP 13.6364
116 2QRD ADP 16.7883
117 3IWD M2T 17.6471
Pocket No.: 4; Query (leader) PDB : 3MJY; Ligand: IJZ; Similar sites found with APoc: 58
This union binding pocket(no: 4) in the query (biounit: 3mjy.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 5O0Z 9GB None
2 1ONX ASP 0.867052
3 4K91 SIN 1.7341
4 2GMP NAG MAN 2.38095
5 3UUA 0CZ 2.39044
6 4TWL ASC 2.43902
7 1QPR PHT 2.46479
8 4PVR ASP 2.58065
9 3BP1 GUN 2.75862
10 3V1S 0LH 2.79503
11 5ULJ 0WD 2.89017
12 2VHL GLP 2.89017
13 3PDT ADP 2.90909
14 1JG3 ADN 2.97872
15 3P9T TCL 3.19635
16 4WUJ FMN 3.40136
17 2OEM 1AE 3.46821
18 4XDA ADP 3.55987
19 3CF6 SP1 3.59281
20 3UDG TMP 3.65448
21 2HW1 FRU 4.02685
22 5M45 AMP 4.04624
23 2PW0 TRC 4.33526
24 1CM0 COA 4.7619
25 3SCH TB6 5.05051
26 2YIP YIO 5.07246
27 5EW0 3C7 5.12821
28 1DQN IMU 5.21739
29 4MN7 SME 5.36913
30 2ZUX RAM 5.49133
31 5E5U MLT 5.52764
32 5UC9 MYR 5.75221
33 2WQ4 SFU 5.76923
34 2DBX GLU 6.31579
35 4UEC MGT 6.52174
36 3G6M CFF 6.6474
37 3KJQ B94 6.70732
38 2XYA 7L4 7.14286
39 5TQZ GLC 7.33333
40 5TG5 JW8 7.34694
41 3ENV ABF 8.08511
42 4C1W SLT 8.51064
43 3AXK NDP 9.53757
44 5Z49 RUB 9.62343
45 6HT0 GQ8 9.67742
46 1O9W NAG 10.1695
47 4JGT PYR 10.3679
48 3FAL REA 10.9023
49 1VC9 ATP 11.1111
50 5DKK FMN 12.4138
51 2AJ4 GLA 13.0058
52 3WBG 2AN 13.0719
53 1TIQ COA 13.3333
54 4PU6 ASP 13.7405
55 1YNS HPO 13.7931
56 5LU5 M7P 14.7208
57 1NBU PH2 19.3277
58 2QX0 PH2 19.4969
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