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 (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 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....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 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 3OIX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAS 0.543307 0.876543
5 FAD 0.543307 0.876543
6 FAE 0.539062 0.865854
7 DAL FAD PER 0.5 0.833333
8 LFN 0.475 0.643836
9 C3F 0.473684 0.74359
10 CF4 0.463918 0.734177
11 FAY 0.446043 0.864198
12 FNR 0.444444 0.909091
13 RFL 0.442857 0.845238
14 4LS 0.411215 0.875
15 1VY 0.406593 0.769231
16 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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3mjy.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3MJY; Ligand: IJZ; Similar sites found: 178
This union binding pocket(no: 2) in the query (biounit: 3mjy.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5T9C G3P 0.03938 0.40768 0.746269
2 2HSA FMN 0.000006014 0.51153 1.7341
3 2OO0 PLP 0.01102 0.41594 1.7341
4 5IFK HPA 0.03274 0.40987 1.92308
5 4YMZ 13P 0.0002893 0.51411 1.99203
6 2Q3O FMN 0.000007457 0.53653 2.02312
7 4XP7 FNR 0.000005347 0.44451 2.02312
8 2ZRU FMN 0.000118 0.43446 2.02312
9 2ZTG A5A 0.01084 0.41286 2.02312
10 4IP7 FLC 0.03019 0.41278 2.02312
11 3W9Z FMN 0.00007351 0.50841 2.17391
12 4D4U FUC 0.01356 0.42394 2.22222
13 4XJ7 ADN 0.02536 0.40527 2.24719
14 5GZ9 MAN 0.02676 0.40673 2.29508
15 1OFD AKG 0.0002048 0.43828 2.31214
16 2GOU FMN 0.0002292 0.43638 2.31214
17 1OFD FMN 0.0002169 0.42905 2.31214
18 3BJE R1P 0.02822 0.4103 2.31214
19 2XSB GDL 0.03245 0.4071 2.31214
20 5JY4 ISC 0.02299 0.40395 2.31214
21 4D9C PMP 0.007214 0.40264 2.33918
22 3CEV ARG 0.01774 0.42092 2.34114
23 2BTM PGA 0.0003602 0.50916 2.38095
24 1M5W DXP 0.02568 0.41658 2.46914
25 5TCI MLI 0.0001129 0.55142 2.53623
26 4JIQ 1L5 0.00001651 0.5074 2.60116
27 4JIQ FMN 0.00001651 0.5074 2.60116
28 2YPI PGA 0.001653 0.46937 2.83401
29 1VYP TNF 0.00004991 0.4921 2.89017
30 1VYP FMN 0.000063 0.48375 2.89017
31 1F6D UDP 0.03006 0.40509 2.92553
32 3HQP FDP 0.0313 0.41193 3.17919
33 5THY SAH 0.007226 0.41124 3.17919
34 4CW5 FMN 0.00008041 0.40939 3.17919
35 5HTX ADP 0.03137 0.40414 3.17919
36 4EZW ASN ARG LEU LEU LEU THR GLY 0.01361 0.41157 3.19635
37 2GJN FMN 0.000135 0.4703 3.35366
38 2GJN NIS 0.0001918 0.45688 3.35366
39 1VHN FMN 0.0008588 0.47847 3.45912
40 2OEM 1AE 0.009854 0.42581 3.46821
41 4EIL FOL 0.02596 0.40136 3.46821
42 2Q4V ACO 0.006324 0.40232 3.52941
43 4XDA RIB 0.01933 0.41495 3.55987
44 3N9R TD3 0.01035 0.42882 3.58306
45 5EYW PGA 0.0004855 0.50241 3.61446
46 1PS9 FMN 0.00009241 0.42315 3.75723
47 3KIF GDL 0.04683 0.4024 3.77358
48 5FUI APY 0.01276 0.41017 3.78788
49 3HMO STU 0.01719 0.40672 3.80117
50 3CTL S6P 0.008437 0.41136 3.8961
51 1VMK GUN 0.008506 0.44367 3.97112
52 4TMC FMN 0.00002772 0.51204 4.04624
53 4TMC HBA 0.00001978 0.50873 4.04624
54 2B4B COA 0.004196 0.42493 4.09357
55 3TAO PGH 0.0002463 0.51137 4.11985
56 3KIH GDL 0.006781 0.44766 4.12371
57 5C2N NAG 0.004555 0.45848 4.16667
58 4HBM 0Y7 0.01566 0.41964 4.16667
59 1W8S FBP 0.0188 0.40823 4.18251
60 2Z6I FMN 0.00003729 0.50651 4.21687
61 2Q3R FMN 0.00000425 0.45364 4.33526
62 2OG7 SIN 0.01414 0.43035 4.33526
63 4A3U FMN 0.00004052 0.42756 4.33526
64 4AMV F6R 0.01691 0.40707 4.33526
65 2B1N LYS ALA SER VAL GLY 0.04165 0.40135 4.47154
66 2Z6J FMN 0.0000437 0.47827 4.51807
67 3QH2 3NM 0.000764 0.49832 4.52489
68 3EXS 5RP 0.0008211 0.48481 4.52489
69 2OG2 MLI 0.03539 0.40131 4.62428
70 4UTU LRY 0.0007795 0.47546 4.91329
71 4UTW RFW 0.001287 0.46031 4.91329
72 5E4R 40E 0.0466 0.40351 4.91329
73 2A19 ANP 0.03078 0.40457 4.92958
74 4XDZ 40E 0.04482 0.40041 4.95627
75 1D1Q 4NP 0.02561 0.42185 4.96894
76 1ZN7 HSX 0.01709 0.41769 5
77 1ZN7 ADE 0.01709 0.41769 5
78 1SW0 PGA 0.0004311 0.49332 5.24194
79 1JCM 137 0.01149 0.41167 5.40541
80 4PPF FLC 0.01498 0.4353 5.49133
81 1DJN FMN 0.002352 0.42596 5.49133
82 1UZD CAP 0.007757 0.40989 5.49133
83 1Y2F WAI 0.03359 0.40114 5.7554
84 2C6Q IMP 0.001912 0.42655 5.78035
85 2YKX AKG 0.0359 0.40708 5.78035
86 4NTK ZSP 0.009828 0.42586 5.78512
87 1JQY A32 0.02842 0.41014 5.82524
88 3GAY P6T 0.01155 0.40525 5.88235
89 2W5P CL8 0.04623 0.40635 6.04027
90 3P7G MAN 0.03334 0.40291 6.16438
91 5OCS FMN 0.00005104 0.51562 6.35838
92 2QMC GTB 0.01527 0.42019 6.35838
93 4V15 PLP 0.026 0.40473 6.35838
94 4GV8 DUP 0.01336 0.41195 6.50888
95 2FJK 13P 0.01033 0.42886 6.55738
96 1UZH CAP 0.009045 0.40696 6.55738
97 4USF 6UI 0.02666 0.40418 6.57895
98 4RW3 IPD 0.03362 0.40628 6.62252
99 4IEE AGS 0.01819 0.42034 6.6474
100 2GMH UQ5 0.006215 0.41107 6.6474
101 1OX5 1PR 0.002947 0.41026 6.6474
102 4JUI EGR 0.0363 0.40843 6.6474
103 2DTJ THR 0.03192 0.40375 6.74157
104 4Y4V DAL 0.02688 0.40698 6.78466
105 2OL1 UMP 0.01472 0.40995 6.80272
106 5KJW 53C 0.01561 0.42954 6.93642
107 4M26 AKG 0.04208 0.4064 6.93642
108 1NVM OXL 0.04846 0.40098 6.93642
109 1NJJ ORX 0.01273 0.40042 6.93642
110 3LEK BCW 0.04935 0.40028 7.18954
111 1ICP FMN 0.0000139 0.47414 7.22543
112 4IXH IMP 0.00202 0.42875 7.22543
113 2G50 PYR 0.01661 0.4237 7.22543
114 1XXR MAN 0.03362 0.40726 7.45342
115 3HF3 FMN 0.00002717 0.51741 7.51445
116 1YP4 ADP 0.01235 0.41021 7.51445
117 1XXA ARG 0.01976 0.42273 7.69231
118 2FLI DX5 0.0004048 0.46608 7.72727
119 5FPE 3TR 0.02241 0.40121 7.80347
120 4EWN 0VR 0.003804 0.43795 7.90514
121 5TV6 PML 0.04714 0.40225 7.91667
122 1T9D P22 0.03652 0.40829 8.09249
123 1Y13 BIO 0.01869 0.41972 8.28729
124 1Q6O LG6 0.003077 0.44232 8.33333
125 3GLC R5P 0.007785 0.43091 8.81356
126 4QNW FMN 0.00001886 0.52435 8.95954
127 4Q4K FMN 0.00002478 0.50023 8.95954
128 3KRU FMN 0.0001189 0.45148 9.0379
129 3ESS 18N 0.04831 0.4002 9.13043
130 2V8W MGO 0.04579 0.40294 9.21659
131 3ATY FMN 0.0000579 0.48943 9.24856
132 4FFG 0U8 0.03345 0.41036 9.24856
133 1TL2 NDG 0.01554 0.42834 9.32203
134 1Z41 FMN 0.000008255 0.56437 9.46746
135 1Z44 FMN 0.00001383 0.56039 9.46746
136 1Z42 FMN 0.00003473 0.54758 9.46746
137 4J25 OGA 0.03379 0.40617 9.60699
138 2F6U CIT 0.0026 0.46992 9.82906
139 1VKF CIT 0.0114 0.43545 10.1064
140 1O9W NAG 0.02733 0.41486 10.1695
141 5TE1 7A2 0.03044 0.40857 10.6936
142 3B0P FMN 0.000001663 0.59739 10.9827
143 2TPS TPS 0.004611 0.40791 11.0132
144 4NAE 1GP 0.00004782 0.57322 11.1111
145 2V68 CAP 0.006863 0.41537 11.4286
146 2VDH CAP 0.007388 0.41082 11.4286
147 2V67 CAP 0.007756 0.40989 11.4286
148 2V63 CAP 0.00832 0.40855 11.4286
149 1IR2 CAP 0.009518 0.40598 11.4286
150 1TRD PGH 0.0008544 0.47858 11.6
151 5B3A 0JO 0.008929 0.40429 11.8497
152 3SAO DBH 0.03738 0.40769 11.875
153 3NZ1 3NY 0.03572 0.40825 11.8774
154 1UJP CIT 0.005977 0.42492 12.1771
155 1TV5 FMN 0.0000000000003901 0.80767 12.4277
156 1TV5 ORO 0.0000008439 0.66488 12.4277
157 1BO4 COA 0.03401 0.40233 12.5
158 3H0L ADP 0.03546 0.40139 12.766
159 5CSS G3P 0.001211 0.48176 13.2743
160 2E27 AB0 0.01426 0.4178 13.4454
161 4RJD TFP 0.02265 0.42496 13.6364
162 4K7O EKZ 0.01199 0.43318 13.6905
163 2XBL M7P 0.009553 0.41891 14.6465
164 3OVR 5SP 0.0005143 0.45758 15.3509
165 1TB3 FMN 0.00001957 0.48781 17.6301
166 1M26 GAL A2G 0.002568 0.47567 19.5489
167 3N5C GDP 0.02995 0.40518 19.7531
168 1GTE IUR 0.00000000002555 0.67499 23.6994
169 1GTE FMN 0.00000000002555 0.67499 23.6994
170 4ORM ORO 0.000000000001032 0.80734 36.9942
171 4ORM 2V6 0.000000000001032 0.80734 36.9942
172 4ORM FMN 0.000000000001032 0.80734 36.9942
173 4IGH ORO 0.00000000002385 0.75381 39.0173
174 4IGH FMN 0.00000000002385 0.75381 39.0173
175 4IGH 1EA 0.00000000002385 0.75381 39.0173
176 1UUO ORO 0.00000000005122 0.53858 40.1734
177 1UUO FMN 0.00000000005122 0.53858 40.1734
178 1UUO BRF 0.00000000006173 0.52689 40.1734
Pocket No.: 3; Query (leader) PDB : 3MJY; Ligand: FMN; Similar sites found: 198
This union binding pocket(no: 3) in the query (biounit: 3mjy.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5T9C G3P 0.03938 0.40768 0.746269
2 2HSA FMN 0.000006014 0.51153 1.7341
3 2OO0 PLP 0.01102 0.41594 1.7341
4 4HPP GLU 0.04418 0.40156 1.7341
5 5IFK HPA 0.03274 0.40987 1.92308
6 4YMZ 13P 0.0002893 0.51411 1.99203
7 2Q3O FMN 0.000007457 0.53653 2.02312
8 4XP7 FNR 0.000005347 0.44451 2.02312
9 2ZRU FMN 0.000118 0.43446 2.02312
10 2ZTG A5A 0.01084 0.41286 2.02312
11 4IP7 FLC 0.03019 0.41278 2.02312
12 3W9Z FMN 0.00007351 0.50841 2.17391
13 4D4U FUC 0.01356 0.42394 2.22222
14 4XJ7 ADN 0.02536 0.40527 2.24719
15 5GZ9 MAN 0.02676 0.40673 2.29508
16 2R14 FMN 0.0001747 0.46204 2.31214
17 2R14 TXD 0.0001591 0.44999 2.31214
18 2GOU FMN 0.0002292 0.44245 2.31214
19 1OFD AKG 0.0002048 0.43828 2.31214
20 1OFD FMN 0.0002169 0.42905 2.31214
21 3BJE R1P 0.02822 0.4103 2.31214
22 2XSB GDL 0.03245 0.4071 2.31214
23 3DGB MUC 0.02577 0.40492 2.31214
24 5JY4 ISC 0.02299 0.40395 2.31214
25 4D9C PMP 0.007214 0.40264 2.33918
26 2BTM PGA 0.0003602 0.50916 2.38095
27 1M5W DXP 0.02568 0.41658 2.46914
28 5TCI MLI 0.0001129 0.55142 2.53623
29 4JIQ FMN 0.00001651 0.5074 2.60116
30 4JIQ 1L5 0.00001651 0.5074 2.60116
31 2YPI PGA 0.001653 0.46937 2.83401
32 1VYP TNF 0.00004991 0.4921 2.89017
33 1VYP FMN 0.000063 0.48375 2.89017
34 1F6D UDP 0.03006 0.40509 2.92553
35 1OYB FMN 0.00008832 0.48605 3.17919
36 1OYB HBA 0.00006398 0.47948 3.17919
37 5THY SAH 0.007226 0.41124 3.17919
38 4CW5 FMN 0.00008041 0.40939 3.17919
39 3MD0 GDP 0.03268 0.40694 3.17919
40 5HTX ADP 0.03137 0.40414 3.17919
41 2GJN FMN 0.000135 0.4703 3.35366
42 2GJN NIS 0.0001918 0.45688 3.35366
43 4Q3F TLA 0.03771 0.40024 3.4188
44 1VHN FMN 0.0008588 0.47847 3.45912
45 4EIL FOL 0.02596 0.40136 3.46821
46 2Q4V ACO 0.006324 0.40232 3.52941
47 3WCS MAN NAG 0.004545 0.45696 3.54331
48 3WCS MAN NAG GAL 0.00776 0.43521 3.54331
49 4XDA RIB 0.01933 0.41495 3.55987
50 3N9R TD3 0.01035 0.42882 3.58306
51 5EYW PGA 0.0004855 0.50241 3.61446
52 1PS9 FMN 0.00009241 0.42315 3.75723
53 5FUI APY 0.01276 0.41017 3.78788
54 3BW2 FMN 0.00001493 0.49227 3.79404
55 3HMO STU 0.01719 0.40672 3.80117
56 3CTL S6P 0.008437 0.41136 3.8961
57 1VMK GUN 0.008506 0.44367 3.97112
58 4TMC FMN 0.00002772 0.51204 4.04624
59 4TMC HBA 0.00001978 0.50873 4.04624
60 2B4B COA 0.004196 0.42493 4.09357
61 3KIH GDL 0.006781 0.44766 4.12371
62 5C2N NAG 0.004555 0.45848 4.16667
63 4HBM 0Y7 0.01566 0.41964 4.16667
64 1W8S FBP 0.0188 0.40823 4.18251
65 2Z6I FMN 0.00003729 0.50651 4.21687
66 2Q3R FMN 0.00000425 0.45364 4.33526
67 2OG7 SIN 0.01414 0.43035 4.33526
68 4A3U FMN 0.00004052 0.42756 4.33526
69 4AMV F6R 0.0127 0.413 4.33526
70 2B1N LYS ALA SER VAL GLY 0.04165 0.40135 4.47154
71 4JEJ 1GP 0.0002828 0.5024 4.5082
72 2Z6J FMN 0.0000437 0.47827 4.51807
73 3QH2 3NM 0.000764 0.49832 4.52489
74 3EXS 5RP 0.0008211 0.48481 4.52489
75 1KBI PYR 0.00001299 0.50713 4.62428
76 4M5P FMN 0.0001369 0.48668 4.62428
77 1KBJ FMN 0.000005548 0.47407 4.62428
78 2OG2 MLI 0.03539 0.40131 4.62428
79 1IR1 CAP 0.01417 0.40125 4.87805
80 4UTU LRY 0.0007795 0.47546 4.91329
81 4UTW RFW 0.001287 0.46031 4.91329
82 1ME8 RVP 0.0008911 0.40416 4.91329
83 5E4R 40E 0.0466 0.40351 4.91329
84 2A19 ANP 0.03078 0.40457 4.92958
85 4XDZ 40E 0.04482 0.40041 4.95627
86 1D1Q 4NP 0.02561 0.42185 4.96894
87 1ZN7 HSX 0.01709 0.41769 5
88 1ZN7 ADE 0.01709 0.41769 5
89 2NLI FMN 0.00005273 0.49549 5.20231
90 2NLI LAC 0.0001319 0.46327 5.20231
91 4I9A NCN 0.0024 0.44337 5.20231
92 1SW0 PGA 0.0004311 0.49332 5.24194
93 4PPF FLC 0.01498 0.4353 5.49133
94 1DJN FMN 0.002352 0.42596 5.49133
95 2C6Q IMP 0.001912 0.42655 5.78035
96 2YKX AKG 0.0359 0.40708 5.78035
97 4NTK ZSP 0.009828 0.42586 5.78512
98 1JQY A32 0.02842 0.41014 5.82524
99 3GAY P6T 0.01155 0.40525 5.88235
100 2W5P CL8 0.04623 0.40635 6.04027
101 3P7G MAN 0.03334 0.40291 6.16438
102 5OCS FMN 0.00005104 0.51562 6.35838
103 1P4C FMN 0.0001575 0.44376 6.35838
104 2QMC GTB 0.01527 0.42019 6.35838
105 4V15 PLP 0.026 0.40473 6.35838
106 4GV8 DUP 0.01336 0.41195 6.50888
107 1BWV CAP 0.01147 0.40847 6.52174
108 2FJK 13P 0.01033 0.42886 6.55738
109 1UZH CAP 0.009045 0.40696 6.55738
110 4USF 6UI 0.02666 0.40418 6.57895
111 4BI7 PGA 0.0004197 0.5057 6.61479
112 4RW3 IPD 0.03362 0.40628 6.62252
113 2RDT 2RD 0.00001507 0.48053 6.6474
114 2RDT FMN 0.000004171 0.47816 6.6474
115 4IEE AGS 0.01819 0.42034 6.6474
116 2GMH UQ5 0.006215 0.41107 6.6474
117 1OX5 1PR 0.002947 0.41026 6.6474
118 4JUI EGR 0.0363 0.40843 6.6474
119 2DTJ THR 0.03192 0.40375 6.74157
120 4Y4V DAL 0.02688 0.40698 6.78466
121 2OL1 UMP 0.01472 0.40995 6.80272
122 4N02 FNR 0.00002513 0.44908 6.93642
123 5KJW 53C 0.01561 0.42954 6.93642
124 4M26 AKG 0.04208 0.4064 6.93642
125 1NVM OXL 0.04846 0.40098 6.93642
126 1NJJ ORX 0.01273 0.40042 6.93642
127 3LEK BCW 0.04935 0.40028 7.18954
128 1ICP FMN 0.0000139 0.47414 7.22543
129 4IXH IMP 0.00202 0.42875 7.22543
130 2G50 PYR 0.01661 0.4237 7.22543
131 1XXR MAN 0.03362 0.40726 7.45342
132 3HF3 FMN 0.00003278 0.43675 7.51445
133 2FLI DX5 0.0004048 0.46608 7.72727
134 5FPE 3TR 0.02241 0.40121 7.80347
135 4EWN 0VR 0.003804 0.43795 7.90514
136 5TV6 PML 0.04714 0.40225 7.91667
137 4NPT 017 0.003037 0.45594 8.08081
138 1T9D P22 0.03652 0.40829 8.09249
139 1Y13 BIO 0.01869 0.41972 8.28729
140 3GLC R5P 0.007785 0.43091 8.81356
141 4QNW FMN 0.00001886 0.52435 8.95954
142 4Q4K FMN 0.00002478 0.45409 8.95954
143 3VGL ANP 0.01351 0.41173 9.03427
144 3KRU FMN 0.0001189 0.45148 9.0379
145 3ESS 18N 0.04831 0.4002 9.13043
146 2V8W MGO 0.04579 0.40294 9.21659
147 3ATY FMN 0.0000579 0.48943 9.24856
148 4FFG 0U8 0.03345 0.41036 9.24856
149 1Z41 FMN 0.000008255 0.56437 9.46746
150 1Z44 FMN 0.00001383 0.56039 9.46746
151 1Z48 FMN 0.00001021 0.56 9.46746
152 1Z42 FMN 0.00003473 0.54758 9.46746
153 4J25 OGA 0.03379 0.40617 9.60699
154 2F6U CIT 0.0026 0.46992 9.82906
155 1VKF CIT 0.0114 0.43545 10.1064
156 1QDS PGA 0.000308 0.50644 10.3586
157 5TE1 7A2 0.03044 0.40857 10.6936
158 3B0P FMN 0.000001663 0.59739 10.9827
159 2TPS TPS 0.004611 0.40791 11.0132
160 4NAE 1GP 0.00004782 0.57322 11.1111
161 1FRW GTP 0.01027 0.41741 11.3402
162 2V68 CAP 0.006863 0.41537 11.4286
163 2VDH CAP 0.007388 0.41082 11.4286
164 2V67 CAP 0.007756 0.40989 11.4286
165 2V63 CAP 0.00832 0.40855 11.4286
166 1IR2 CAP 0.009518 0.40598 11.4286
167 1TRD PGH 0.0008544 0.47858 11.6
168 5B3A 0JO 0.008929 0.40429 11.8497
169 3SAO DBH 0.03738 0.40769 11.875
170 3NZ1 3NY 0.03572 0.40825 11.8774
171 1UJP CIT 0.005977 0.42492 12.1771
172 1TV5 FMN 0.0000000000003901 0.80767 12.4277
173 1TV5 ORO 0.0000008439 0.66488 12.4277
174 1BO4 COA 0.03401 0.40233 12.5
175 3H0L ADP 0.03546 0.40139 12.766
176 5CSS G3P 0.001211 0.48176 13.2743
177 1GVF PGH 0.009153 0.44068 13.2867
178 2E27 AB0 0.01426 0.4178 13.4454
179 4RJD TFP 0.02265 0.42496 13.6364
180 4K7O EKZ 0.01199 0.43318 13.6905
181 2XBL M7P 0.009553 0.41891 14.6465
182 3OVR 5SP 0.0005143 0.45758 15.3509
183 1AL8 FMN 0.000005823 0.53582 15.896
184 1AL8 DHP 0.0001013 0.46068 15.896
185 1TB3 FMN 0.00001957 0.47236 17.6301
186 1M26 GAL A2G 0.002568 0.47567 19.5489
187 3N5C GDP 0.02995 0.40518 19.7531
188 1GTE IUR 0.00000000002555 0.67499 23.6994
189 1GTE FMN 0.00000000002555 0.67499 23.6994
190 4ORM 2V6 0.000000000001032 0.80734 36.9942
191 4ORM ORO 0.000000000001032 0.80734 36.9942
192 4ORM FMN 0.000000000001032 0.80734 36.9942
193 4IGH ORO 0.00000000002385 0.75381 39.0173
194 4IGH 1EA 0.00000000002385 0.75381 39.0173
195 4IGH FMN 0.00000000002385 0.75381 39.0173
196 1UUO ORO 0.00000000005122 0.53858 40.1734
197 1UUO FMN 0.00000000005122 0.53858 40.1734
198 1UUO BRF 0.00000000006173 0.52689 40.1734
Pocket No.: 4; Query (leader) PDB : 3MJY; Ligand: IJZ; 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: 3mjy.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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