Receptor
PDB id Resolution Class Description Source Keywords
4UP3 1.44 Å EC: 1.8.1.9 CRYSTAL STRUCTURE OF THE MUTANT C140S,C286Q THIOREDOXIN REDUCTASE FROM ENTAMOEBA HISTOLYTICA ENTAMOEBA HISTOLYTICA OXIDOREDUCTASE REDOX METABOLISM OXIDATIVE STRESS
Ref.: X-RAY STRUCTURES OF THIOREDOXIN AND THIOREDOXIN RED FROM ENTAMOEBA HISTOLYTICA AND PREVAILING HYPOTHESI MECHANISM OF AURANOFIN ACTION. J.STRUCT.BIOL. V. 194 180 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:1317;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NDP A:1316;
B:1316;
Valid;
Valid;
none;
Atoms found MORE than expected: % Diff = 2;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
FAD A:1315;
B:1315;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UP3 1.44 Å EC: 1.8.1.9 CRYSTAL STRUCTURE OF THE MUTANT C140S,C286Q THIOREDOXIN REDUCTASE FROM ENTAMOEBA HISTOLYTICA ENTAMOEBA HISTOLYTICA OXIDOREDUCTASE REDOX METABOLISM OXIDATIVE STRESS
Ref.: X-RAY STRUCTURES OF THIOREDOXIN AND THIOREDOXIN RED FROM ENTAMOEBA HISTOLYTICA AND PREVAILING HYPOTHESI MECHANISM OF AURANOFIN ACTION. J.STRUCT.BIOL. V. 194 180 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4UP3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3ITJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1VDC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 4UP3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5MIR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5MH4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5MIQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5MIP - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 5MIT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 5MJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5MIS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 1FL2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 3CTY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 2Q0K - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 2Q0L - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
12 5J60 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 2Q7V - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 3ITJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 1VDC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 3F8R - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
17 3F8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 3F8D - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 4UP3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
20 1TDF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 1CL0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 1TRB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
23 1TDE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Ligand no: 2; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UP3; Ligand: NDP; Similar sites found: 187
This union binding pocket(no: 1) in the query (biounit: 4up3.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC NBU 0.0158 0.41658 None
2 2BOS GLA GAL GLC 0.01725 0.41493 None
3 1WUW TSU 0.015 0.40826 None
4 5GZ6 NDP 0.00004128 0.49261 1.59236
5 5GZ6 7C3 0.00006221 0.47222 1.59236
6 1JAY NAP 0.002607 0.41374 1.88679
7 2O4C NAD 0.001263 0.43946 1.91083
8 1P0F NAP 0.002033 0.43194 2.14477
9 5UAO FAD 0.000487 0.46641 2.2293
10 1WDK NAD 0.0001133 0.46217 2.2293
11 1CF2 NAP 0.0007542 0.44294 2.2293
12 4L8V NAP 0.006505 0.4077 2.2293
13 3H8V ATP 0.002703 0.4236 2.39726
14 3UCL CYH 0.0001219 0.51691 2.54777
15 3UCL FAD 0.0001219 0.51691 2.54777
16 3UCL NAP 0.0001367 0.51691 2.54777
17 1V8B NAD 0.000504 0.4633 2.54777
18 1SC6 NAD 0.0007195 0.45132 2.54777
19 2DFV NAD 0.001192 0.43615 2.54777
20 4KQW NAP 0.002446 0.43101 2.54777
21 1PL6 NAD 0.002082 0.4212 2.54777
22 2VYN NAD 0.0003976 0.41358 2.54777
23 5JE8 NAD 0.002009 0.40393 2.64901
24 1LSS NAD 0.002348 0.41901 2.85714
25 1F06 2NP 0.0002946 0.4708 2.86624
26 1F06 NDP 0.0002946 0.4708 2.86624
27 2FZW NAD 0.001261 0.45362 2.86624
28 3CIF NAD 0.001805 0.43001 2.86624
29 1X14 NAD 0.005769 0.41271 2.86624
30 3CIF G3H 0.007743 0.41042 2.86624
31 5EOW FAD 0.0001047 0.40871 2.86624
32 1JN2 SFP 0.03373 0.4063 2.95359
33 4YCA NDP 0.000173 0.43433 3.06122
34 5EB4 FAD 0.0008931 0.45711 3.18471
35 1CDO NAD 0.0006847 0.41357 3.18471
36 1UP7 NAD 0.00621 0.40297 3.18471
37 2YY7 NAD 0.002654 0.42566 3.20513
38 2VT3 ATP 0.0004354 0.47812 3.25581
39 1KYQ NAD 0.0002091 0.47706 3.28467
40 3NTD FAD 0.0003492 0.47276 3.50318
41 2GZ3 NAP 0.02353 0.40072 3.50318
42 5W3Y IHP 0.02585 0.40059 3.50318
43 4CJX NAP 0.001466 0.40919 3.76176
44 1OMO NAD 0.002072 0.40808 3.82166
45 4K28 NAD 0.0008917 0.41591 4.08922
46 3S5W NAP 0.0000001532 0.62522 4.14013
47 4J36 FAD 0.00002706 0.51411 4.14013
48 1E6E FAD 0.00003637 0.51308 4.14013
49 2YVF NAD 0.0006777 0.51175 4.14013
50 2YVF FAD 0.0006541 0.51175 4.14013
51 4J36 1HR 0.00007194 0.50909 4.14013
52 2B9W FAD 0.0002644 0.49466 4.14013
53 3OJO NAD 0.00008939 0.46624 4.14013
54 1J0X NAD 0.001585 0.44919 4.14013
55 2HJR APR 0.0003248 0.4445 4.14013
56 1ELI PYC 0.00918 0.41035 4.37018
57 1DJN ADP 0.00001928 0.49283 4.4586
58 4X9M FAD 0.000006032 0.41784 4.4586
59 1EBF NAD 0.002826 0.41569 4.4586
60 4XB2 HSE 0.006302 0.41081 4.4586
61 4XB2 NDP 0.003561 0.40987 4.4586
62 4RQU NAD 0.0006717 0.40498 4.4586
63 1O94 ADP 0.00001709 0.48649 4.54545
64 3WV8 ATP 0.001496 0.43094 4.58716
65 4TM3 FAD 0.000009985 0.57024 4.77707
66 1PS9 NAP 0.000007215 0.52773 4.77707
67 1PS9 FAD 0.00002717 0.52544 4.77707
68 2GV8 NDP 0.000004542 0.50781 4.77707
69 2GVC FAD 0.0001453 0.48264 4.77707
70 4TXI FAD 0.0000931 0.41928 4.77707
71 2BRY FAD 0.00008808 0.41617 4.77707
72 2RGJ FAD 0.000128 0.41108 4.77707
73 2GV8 FAD 0.0001831 0.40251 4.77707
74 2IYF UDP 0.02632 0.40019 4.77707
75 1OFS SUC 0.02376 0.40807 4.81283
76 5KXE 6Y2 0.02532 0.40693 4.93827
77 4MIG G3F 0.0001197 0.50464 5.09554
78 3NJ4 NAD 0.005462 0.46022 5.09554
79 4C3Y FAD 0.0008463 0.45924 5.09554
80 1NVT NAP 0.0001278 0.45256 5.09554
81 3NJ4 AFX 0.01236 0.44257 5.09554
82 4C3Y ANB 0.002835 0.44072 5.09554
83 1MV8 NAD 0.000172 0.43635 5.09554
84 5H81 NAP 0.001046 0.43005 5.09554
85 1MUU NAD 0.0004343 0.42694 5.09554
86 2Y6Q FAD 0.0001154 0.41896 5.09554
87 5AYV KPL 0.001727 0.43878 5.17799
88 5AYV NAP 0.002191 0.4186 5.17799
89 4CNK FAD 0.00002772 0.52105 5.41401
90 5BSH PRO 0.01026 0.40168 5.41516
91 5FJN FAD 0.00006806 0.50898 5.48246
92 5FJN BE2 0.0000814 0.50898 5.48246
93 2E5V FAD 0.0001046 0.50183 5.73248
94 3QVP FAD 0.0002602 0.4842 5.73248
95 1N4W FAD 0.0003188 0.48026 5.73248
96 1LDN NAD 0.0006978 0.45048 5.73248
97 5TUK FAD 0.0001857 0.42938 5.73248
98 3GDN HBX 0.006914 0.42654 5.73248
99 3GDN FAD 0.004855 0.42654 5.73248
100 2IVD FAD 0.00007438 0.40497 5.73248
101 2F1K NAP 0.0004291 0.42246 5.73477
102 3JUC PCA 0.03001 0.40177 5.88235
103 1FWV SGA MAG FUC 0.02677 0.40964 5.97015
104 5JCM NAD 0.00004591 0.53669 6.05096
105 5JCM ISD 0.00006383 0.53002 6.05096
106 5JCM FAD 0.00006126 0.53002 6.05096
107 2VVM FAD 0.0001632 0.48974 6.05096
108 1J49 NAD 0.0005997 0.4085 6.05096
109 4G74 FAD 0.0001255 0.40043 6.05096
110 4RDH AMP 0.006337 0.41456 6.25
111 5BUK FAD 0.00008998 0.5059 6.36943
112 5G3U FDA 0.00002449 0.40903 6.36943
113 2YVJ NAI 0.000001501 0.56583 6.42202
114 1GUZ NAD 0.0002958 0.41665 6.45161
115 1RVV INI 0.0264 0.40013 6.49351
116 5O4J 9KH 0.0107 0.40318 6.56934
117 5O4J SAH 0.0107 0.40318 6.56934
118 1NYT NAP 0.0009809 0.41476 6.64207
119 5EZ7 FAD 0.00003629 0.40257 6.6879
120 1HYH NAD 0.0003348 0.4064 6.79612
121 5E5U MLI 0.01797 0.4298 6.81818
122 2BQP GLC 0.0168 0.41398 6.83761
123 1QO8 FAD 0.00003802 0.52022 7.00637
124 3V1Y NAD 0.0006352 0.41708 7.00637
125 4IDC NDP 0.007418 0.40895 7.00637
126 4IDC 1XX 0.007418 0.40895 7.00637
127 3AD8 NAD 0.00003142 0.424 7.17822
128 5MQ6 NDP 0.0004528 0.43872 7.32484
129 5N2I NAP 0.0008292 0.42959 7.32759
130 4RSL FAD 0.00004183 0.41459 7.41573
131 1O6Z NAD 0.0009212 0.4209 7.59076
132 4BV6 FAD 0.0001779 0.48927 7.64331
133 5VN0 NAI 0.00001022 0.48262 7.64331
134 1PJS NAD 0.00002884 0.46812 7.64331
135 5FJJ MAN 0.02262 0.42908 7.64331
136 3CMC NAD 0.01593 0.41862 7.64331
137 5I39 FAD 0.00003645 0.40466 7.64331
138 5CAE COA 0.002549 0.40356 7.66773
139 3GD4 NAD 0.000002529 0.52872 7.96178
140 3GD4 FAD 0.00009282 0.4006 7.96178
141 4J4H 1J1 0.002183 0.44583 8.10811
142 4J4H NAI 0.002183 0.44583 8.10811
143 4JK3 NAD 0.000884 0.41122 8.10811
144 2XVE FAD 0.0008573 0.4744 8.28025
145 1I36 NAP 0.002176 0.41697 8.71212
146 5W3X IHP 0.02234 0.41088 8.75
147 2GAG NAD 0.00003612 0.40953 8.9172
148 3GMB FAD 0.000008907 0.43928 9.55414
149 3FPZ AHZ 0.03744 0.43111 9.55414
150 5TUF FAD 0.00007901 0.42229 9.55414
151 2NAD NAD 0.005063 0.41846 9.55414
152 4D79 ATP 0.002602 0.42432 9.78261
153 5EVY FAD 0.0009823 0.42472 9.87261
154 1BW9 NAD 0.004258 0.40497 9.87261
155 3IHG FAD 0.00005571 0.44067 10.5096
156 1VI2 NAD 0.001824 0.42013 10.6667
157 1NPD NAD 0.00257 0.40297 11.1111
158 5J7X FAD 0.00002363 0.40674 11.1465
159 4D3F NAP 0.001074 0.42959 11.2903
160 1V59 NAD 0.00003113 0.53286 12.1019
161 2CUL FAD 0.0001451 0.40053 13.3621
162 5JWC FAD 0.0001618 0.40005 13.3758
163 2DT5 NAD 0.0009412 0.40149 13.7441
164 1VQW FAD 0.0002037 0.40379 14.6497
165 1JNR FAD 0.0003911 0.49894 16
166 1LUA NAP 0.00189 0.42297 17.4216
167 1P77 ATR 0.0004092 0.49776 17.6471
168 3ICT ADP 0.000002342 0.58653 18.7898
169 3ICS ADP 0.00000326 0.57967 18.7898
170 2HK9 ATR 0.00008069 0.51965 18.9091
171 2HK9 NAP 0.0008592 0.41125 18.9091
172 4USQ FAD 0.03784 0.40403 21.0191
173 1FEC FAD 0.002031 0.44723 25.4777
174 4USR FAD 0.0001819 0.40221 25.7962
175 1GET NAP 0.0000009681 0.61779 27.0701
176 1GET FAD 0.000003712 0.58859 27.0701
177 1XHC FAD 0.00005347 0.40996 27.0701
178 2WPF FAD 0.00001686 0.5748 27.3885
179 2WPF WPF 0.00002608 0.56745 27.3885
180 2CDU ADP 0.000004739 0.49909 28.0255
181 2CDU FAD 0.0002216 0.47886 28.0255
182 3CGD COA 0.0000714 0.53605 29.9363
183 3CGD NAD 0.0000714 0.53605 29.9363
184 3CGD FAD 0.0000714 0.53605 29.9363
185 3KLJ FAD 0.0001978 0.40362 36.6242
186 2F5Z FAD 0.0001102 0.50083 39.172
187 1ZMD NAI 0.000008169 0.49487 39.172
Pocket No.: 2; Query (leader) PDB : 4UP3; Ligand: FAD; 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: 4up3.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4UP3; Ligand: FAD; Similar sites found: 467
This union binding pocket(no: 3) in the query (biounit: 4up3.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1L7N ALF 0.0467 0.40072 0.947867
2 1T9D P22 0.01269 0.44145 1.27389
3 1JJ7 ADP 0.04218 0.41639 1.53846
4 5GZ6 NDP 0.002226 0.443 1.59236
5 5GZ6 7C3 0.003836 0.42602 1.59236
6 4PX9 ADP 0.04733 0.40254 1.71233
7 4ZCC NAI 0.00000009822 0.49533 1.91083
8 4ZCC FAD 0.00000009822 0.49533 1.91083
9 5MBX SP5 0.00000004145 0.4918 1.91083
10 5MBX FAD 0.00000004145 0.4918 1.91083
11 2HHP FLC 0.02431 0.46024 1.91083
12 4IP7 FBP 0.004703 0.44248 1.91083
13 4RPL FAD 0.0000004866 0.43928 1.91083
14 4RPL 3UC 0.000001039 0.42378 1.91083
15 2FK8 SAM 0.006277 0.42269 1.91083
16 3JV7 NAD 0.002193 0.41928 1.91083
17 2JJQ SAH 0.01747 0.41799 1.91083
18 1YFS ALA 0.03214 0.40775 1.91083
19 5DN9 NAD 0.003019 0.40665 1.91083
20 1NVM NAD 0.000944 0.43087 1.92308
21 3BGD SAH 0.00445 0.42322 1.92308
22 3BGD PM6 0.006538 0.40538 1.92308
23 1ZQ9 SAM 0.00688 0.42733 2.10526
24 5UAO FAD 0.0000002576 0.52293 2.2293
25 1Y8Q ATP 0.0001295 0.48583 2.2293
26 1WDK NAD 0.000566 0.46212 2.2293
27 2R4J 13P 0.000002464 0.45215 2.2293
28 2R4J FAD 0.000002464 0.45215 2.2293
29 2Q1W NAD 0.0002397 0.44786 2.2293
30 2B4R NAD 0.0005772 0.43913 2.2293
31 2B4R AES 0.001321 0.42792 2.2293
32 1HSR BHO 0.03304 0.41846 2.2293
33 3ABI NAD 0.00255 0.41671 2.2293
34 2CI0 1CM 0.03191 0.40813 2.2293
35 5U97 PIT 0.03927 0.40026 2.2293
36 1C3X 8IG 0.01836 0.43238 2.25564
37 1QCI ADE 0.03347 0.41053 2.29008
38 3H8V ATP 0.0001573 0.50413 2.39726
39 3UCL CYH 0.000001423 0.531 2.54777
40 3UCL NAP 0.000001703 0.531 2.54777
41 3UCL FAD 0.000001423 0.531 2.54777
42 4MO2 FDA 0.0000005274 0.53065 2.54777
43 4MO2 FAD 0.0000005308 0.52665 2.54777
44 1CER NAD 0.0002565 0.46588 2.54777
45 2VYN NAD 0.0003082 0.45591 2.54777
46 1PL6 NAD 0.001641 0.44896 2.54777
47 2YX1 SFG 0.006868 0.43828 2.54777
48 4XFR CIT 0.01443 0.43739 2.54777
49 1LJ8 NAD 0.006384 0.41932 2.54777
50 2X6T NAP 0.002211 0.41914 2.54777
51 5THY SAH 0.01046 0.41267 2.54777
52 2UZ1 TPP 0.006477 0.41064 2.54777
53 2EG5 SAH 0.03865 0.40382 2.54777
54 1M2W NAD 0.01272 0.40335 2.54777
55 1ORR NAD 0.004023 0.40197 2.54777
56 1V8B NAD 0.0008234 0.40124 2.54777
57 5X20 NAD 0.006034 0.41194 2.5641
58 1EQ2 NAP 0.002172 0.41944 2.58065
59 1YJQ NAP 0.003292 0.40524 2.64026
60 5JE8 NAD 0.003193 0.42354 2.64901
61 3OFK SAH 0.01708 0.40033 2.77778
62 1L1E SAH 0.006874 0.42091 2.78746
63 1KPH SAH 0.007433 0.41639 2.78746
64 1KPG SAH 0.008365 0.41411 2.78746
65 1LSS NAD 0.00003091 0.52661 2.85714
66 5EOW FAD 0.00000002779 0.59017 2.86624
67 1X14 NAD 0.001514 0.4622 2.86624
68 1BXK NAD 0.000539 0.44623 2.86624
69 4M00 SUC 0.01159 0.44006 2.86624
70 5TSH ADP 0.03302 0.42023 2.86624
71 1YKJ FAD 0.00001257 0.40873 2.86624
72 1YKJ PHB 0.00001257 0.40873 2.86624
73 5DX8 SFG 0.01364 0.40202 2.86624
74 1QAN SAH 0.01329 0.40518 2.86885
75 4ZRN NAD 0.0005542 0.43157 2.88462
76 1D4D FAD 0.00000002814 0.54432 2.97203
77 2PV7 NAD 0.001847 0.42767 3.02013
78 4PU6 ASP 0.04322 0.41201 3.04569
79 4YCA NDP 0.0002332 0.46758 3.06122
80 5HCN GCP 0.01522 0.42466 3.06513
81 5EB4 FAD 0.000001653 0.50243 3.18471
82 5LD5 NAD 0.0008544 0.45436 3.18471
83 4E5N NAD 0.00164 0.4216 3.18471
84 3LU1 NAD 0.002833 0.41491 3.18471
85 1CDO NAD 0.009413 0.40133 3.18471
86 1QZZ SAM 0.03843 0.40073 3.18471
87 4FBL SPD 0.03106 0.41599 3.20285
88 1O5I NAD 0.01504 0.40838 3.21285
89 2VDV SAM 0.03483 0.4029 3.25203
90 2VT3 ATP 0.0001322 0.52964 3.25581
91 1KYQ NAD 0.0000762 0.52416 3.28467
92 5D4V SAH 0.009999 0.41067 3.35821
93 3TAO PGH 0.03834 0.4074 3.37079
94 2EV9 SKM 0.005096 0.4003 3.42205
95 2EV9 NAP 0.005096 0.4003 3.42205
96 3LQV ADE 0.001848 0.48394 3.47826
97 3NT6 FAD 0.00000001568 0.57986 3.50318
98 4GUS FAD 0.000000003455 0.56773 3.50318
99 3NTA FAD 0.00000004988 0.56238 3.50318
100 4GUT FAD 0.000000003678 0.55566 3.50318
101 4HSU FAD 0.000000008892 0.5549 3.50318
102 3NTD FAD 0.00000003986 0.54951 3.50318
103 2WET FAD 0.00000005899 0.54545 3.50318
104 4IV9 FAD 0.0000001734 0.53556 3.50318
105 2RGO FAD 0.000003526 0.50153 3.50318
106 3WGT FAD 0.000001807 0.47026 3.50318
107 3WGT QSC 0.000002046 0.46394 3.50318
108 4EIP K2C 0.000006119 0.45744 3.50318
109 4EIP FAD 0.000006119 0.45744 3.50318
110 5BR7 FAD 0.0000005721 0.44312 3.50318
111 4LWP SAH 0.003772 0.43957 3.50318
112 2CXG GLC GLC 0.02081 0.4324 3.50318
113 4D04 NAP 0.000001341 0.42968 3.50318
114 4D04 FAD 0.000001341 0.42968 3.50318
115 5BR7 FLC 0.000002281 0.4272 3.50318
116 4XZ3 ACP 0.02893 0.42171 3.50318
117 2I3G NAP 0.004134 0.40608 3.50318
118 1V8K ANP 0.04098 0.40587 3.50318
119 3FV1 DYH 0.01077 0.40135 3.51562
120 3DXY SAM 0.008719 0.43704 3.66972
121 4CJX NAP 0.002652 0.42693 3.76176
122 5KMS FAD 0.00000003723 0.57589 3.82166
123 1X87 NAD 0.0004352 0.46707 3.82166
124 1OMO NAD 0.0006297 0.45654 3.82166
125 5KMS NAD 0.0000004655 0.4538 3.82166
126 4DSG FAD 0.000000453 0.44762 3.82166
127 4DSG UDP 0.000000453 0.44762 3.82166
128 2VHW NAI 0.001067 0.41626 3.82166
129 3JQ3 ADP 0.04874 0.40186 3.82166
130 2V6G NAP 0.005692 0.4007 3.82166
131 1TPY SAH 0.006415 0.41923 3.83275
132 5F90 GLA GAL 0.02877 0.4239 3.84615
133 5F90 LMR 0.04221 0.40953 3.84615
134 5U5G NAP 0.00702 0.40173 4.0678
135 4K28 NAD 0.0008778 0.44706 4.08922
136 3B20 NAD 0.0003248 0.4688 4.12979
137 2HQM FAD 0.0000000004795 0.60809 4.14013
138 3S5W FAD 0.0000009626 0.54641 4.14013
139 2B9W FAD 0.000000306 0.54637 4.14013
140 1E6E FAD 0.00000004703 0.53973 4.14013
141 4J36 FAD 0.0000001026 0.51728 4.14013
142 3S5W NAP 0.0001441 0.51625 4.14013
143 4J36 1HR 0.000001112 0.51264 4.14013
144 3OJO NAD 0.00008751 0.4973 4.14013
145 5WGR FAD 0.000002921 0.49408 4.14013
146 1PN0 FAD 0.00000106 0.47772 4.14013
147 1PN0 IPH 0.000001153 0.4726 4.14013
148 1E1M NAP 0.0000003896 0.47053 4.14013
149 1E1M FAD 0.0000003896 0.47053 4.14013
150 2HJR APR 0.001221 0.44763 4.14013
151 2YVF NAD 0.002408 0.44135 4.14013
152 2YVF FAD 0.00231 0.44135 4.14013
153 4U8P FDA 0.0000006826 0.428 4.14013
154 4U8P UDP 0.0000007927 0.42177 4.14013
155 2PZM NAD 0.001652 0.40405 4.14013
156 2PZM UDP 0.001652 0.40405 4.14013
157 1J0X NAD 0.001967 0.40145 4.14013
158 5J6Y BGC 0.01394 0.43258 4.25532
159 5J6Y GLC 0.01394 0.43258 4.25532
160 2G5C NAD 0.0005323 0.44342 4.27046
161 1LK7 DER 0.02267 0.41578 4.36681
162 1ELI PYC 0.00003242 0.45352 4.37018
163 3G89 SAM 0.007872 0.43532 4.41767
164 3H2B SAH 0.007817 0.42148 4.4335
165 1DJN ADP 0.000000006168 0.67747 4.4586
166 3G5S FAD 0.000000003674 0.60678 4.4586
167 2GMH FAD 0.00000005693 0.54589 4.4586
168 4X9M FAD 0.0000005872 0.51764 4.4586
169 1H82 FAD 0.00000003444 0.49138 4.4586
170 2IID PHE 0.0000002182 0.4735 4.4586
171 2IID FAD 0.0000002182 0.4735 4.4586
172 1H82 GZZ 0.00000005103 0.46878 4.4586
173 3L9W AMP 0.001055 0.429 4.4586
174 3L9W GSH 0.001638 0.42697 4.4586
175 4RQU NAD 0.002777 0.41782 4.4586
176 1GY8 NAD 0.002453 0.41485 4.4586
177 3Q9T FAY 0.008712 0.40192 4.4586
178 5OFW 9TW 0.04286 0.40992 4.4843
179 1WP4 NDP 0.005614 0.40807 4.49827
180 3OZ2 FAD 0.00000003643 0.55848 4.53401
181 1O94 ADP 0.000000001873 0.69217 4.54545
182 4USI AKG 0.04242 0.41319 4.54545
183 1JI0 ATP 0.04667 0.41015 4.58333
184 3WV8 ATP 0.00003356 0.53013 4.58716
185 1JG3 ADN 0.009058 0.42172 4.68085
186 1GRN AF3 0.03436 0.41756 4.71204
187 2NGR AF3 0.04977 0.40859 4.71204
188 1JQ3 AAT 0.001735 0.41567 4.72973
189 1PS9 FAD 0.000000000497 0.62352 4.77707
190 2BRY FAD 0.00000008949 0.57623 4.77707
191 2RGJ FAD 0.0000001546 0.56734 4.77707
192 4TXI FAD 0.0000002324 0.5654 4.77707
193 3NKS FAD 0.0000001351 0.55152 4.77707
194 2GV8 FAD 0.0000003118 0.55144 4.77707
195 2GVC FAD 0.0000002294 0.50584 4.77707
196 4TM3 FAD 0.00001171 0.50038 4.77707
197 3NYC IAR 0.000002054 0.45672 4.77707
198 3NYC FAD 0.000002054 0.45672 4.77707
199 2GV8 NDP 0.0008156 0.45175 4.77707
200 3AB4 LYS 0.005207 0.44846 4.77707
201 5MZI FAD 0.0000007416 0.44624 4.77707
202 5MZI FYK 0.0000007563 0.44282 4.77707
203 1KEV NDP 0.002192 0.40953 4.77707
204 4BA5 PXG 0.03235 0.4014 4.77707
205 5A7Y SAH 0.04129 0.4057 4.80769
206 3QV1 NAD 0.0001256 0.48246 4.87805
207 2I7C AAT 0.001053 0.42128 4.947
208 2Y6Q FAD 0.000000131 0.57488 5.09554
209 5BVA FAD 0.000000006014 0.55899 5.09554
210 4MIG G3F 0.000001227 0.51782 5.09554
211 4C3Y FAD 0.000001229 0.50828 5.09554
212 4C3Y ANB 0.000003955 0.49765 5.09554
213 2Y6Q I7T 0.000002186 0.47028 5.09554
214 1MUU NAD 0.0003617 0.4632 5.09554
215 1MV8 NAD 0.0004599 0.45543 5.09554
216 1NVT NAP 0.001618 0.43906 5.09554
217 4B2D FBP 0.006114 0.43692 5.09554
218 2VOH CIT 0.02547 0.42636 5.09554
219 4XDY NAI 0.002807 0.42304 5.09554
220 5H81 NAP 0.008447 0.41393 5.09554
221 5UAV TFB 0.001875 0.40749 5.09554
222 5UAV NDP 0.001875 0.40749 5.09554
223 3NJ4 NAD 0.01737 0.40148 5.09554
224 2AOT SAH 0.00776 0.43186 5.13699
225 2ZXI FAD 0.00000001799 0.58243 5.41401
226 4CNK FAD 0.00000001043 0.56833 5.41401
227 4REP FAD 0.0000001502 0.54164 5.41401
228 3E1T FAD 0.00000004182 0.53853 5.41401
229 1NAA 6FA 0.000001049 0.49502 5.41401
230 1NAA ABL 0.000002169 0.45052 5.41401
231 1PCA VAL 0.0449 0.40205 5.41401
232 5FJN BE2 0.0000003063 0.5347 5.48246
233 5FJN FAD 0.0000002314 0.53446 5.48246
234 1LES GLC FRU 0.01918 0.43901 5.52486
235 5HS2 CTP 0.03391 0.40039 5.60345
236 2IVD FAD 0.0000001288 0.55658 5.73248
237 5TUK FAD 0.000001325 0.5551 5.73248
238 2E5V FAD 0.00000007663 0.55241 5.73248
239 2JB2 FAD 0.0000001981 0.53753 5.73248
240 2JB2 PHE 0.0000002516 0.53009 5.73248
241 2X3N FAD 0.0000008669 0.52303 5.73248
242 3QVP FAD 0.0000007599 0.5183 5.73248
243 1N4W FAD 0.000001596 0.50726 5.73248
244 3GDN HBX 0.00000436 0.50097 5.73248
245 3GDN FAD 0.000002221 0.50097 5.73248
246 4YNU FAD 0.0000007795 0.49495 5.73248
247 4YNU LGC 0.000001261 0.47242 5.73248
248 3GFB NAD 0.0009162 0.44001 5.73248
249 3ZNN 4WL 0.000004111 0.43214 5.73248
250 3ZNN FAD 0.000004111 0.43214 5.73248
251 4XDZ NDP 0.002679 0.42674 5.73248
252 5E4R NAP 0.002479 0.41979 5.73248
253 2F1K NAP 0.0003001 0.46307 5.73477
254 3U31 NAD 0.0134 0.40502 5.86207
255 1FWV SGA MAG FUC 0.01506 0.44315 5.97015
256 2YY8 SAM 0.01427 0.40943 5.97015
257 5JCM FAD 0.00000002803 0.59177 6.05096
258 5JCM ISD 0.00000003013 0.59177 6.05096
259 5JCM NAD 0.00000003013 0.59177 6.05096
260 4G74 FAD 0.00000003238 0.57806 6.05096
261 2VVM FAD 0.00000003736 0.55811 6.05096
262 4G74 UQ5 0.0000001223 0.50517 6.05096
263 1J49 NAD 0.000985 0.43578 6.05096
264 5X62 SAH 0.02806 0.40144 6.05096
265 1YRB GDP 0.02869 0.40398 6.10687
266 4RDH AMP 0.0000374 0.54479 6.25
267 4RDI ATP 0.00005511 0.52544 6.25
268 2AR6 NAG MAN 0.0349 0.40286 6.34921
269 3LAD FAD 0.0000000005335 0.60637 6.36943
270 5BUK FAD 0.000000008852 0.58616 6.36943
271 2Z3Y F2N 0.00000000685 0.56423 6.36943
272 5G3U FDA 0.0000003993 0.53095 6.36943
273 4Z24 FAD 0.0000001227 0.52968 6.36943
274 5G3U ITW 0.000002692 0.47765 6.36943
275 4D7E FAD 0.00005637 0.462 6.36943
276 1EZ4 NAD 0.0009101 0.44321 6.36943
277 3GF4 FAD 0.000005023 0.43974 6.36943
278 3GF4 UPG 0.000004036 0.43284 6.36943
279 3L4S NAD 0.001896 0.41665 6.36943
280 5KJW 53C 0.02943 0.41378 6.36943
281 3L4S 3PG 0.002307 0.41102 6.36943
282 4YSX FAD 0.0000002467 0.53038 6.38298
283 4YSX MLI 0.04875 0.4076 6.38298
284 3EB9 FLC 0.04115 0.4024 6.39098
285 1HPG BOC ALA ALA PRO GLU 0.02137 0.4171 6.41711
286 2YVJ FAD 0.000000005288 0.6012 6.42202
287 2YVJ NAI 0.000007542 0.56583 6.42202
288 1GUZ NAD 0.003035 0.41628 6.45161
289 1NYT NAP 0.004943 0.41557 6.64207
290 5TQZ GLC 0.0388 0.40945 6.66667
291 2A8X FAD 0.0000000007637 0.59489 6.6879
292 4FWE FAD 0.000000004063 0.5715 6.6879
293 5EZ7 FAD 0.000004086 0.49243 6.6879
294 3RK1 ATP 0.02345 0.41157 6.6879
295 3VPH NAD 0.001166 0.42213 6.77419
296 3VPH OXM 0.00108 0.41844 6.77419
297 1HYH NAD 0.0006392 0.43742 6.79612
298 1Q5H DUD 0.01652 0.40944 6.80272
299 2FT0 ACO 0.02016 0.41153 6.80851
300 5E5U MLI 0.007478 0.46367 6.81818
301 2BQP GLC 0.02713 0.43066 6.83761
302 1QO8 FAD 0.00000001009 0.58085 7.00637
303 3QJ4 FAD 0.0000001281 0.54813 7.00637
304 3V1Y NAD 0.0006474 0.44931 7.00637
305 3AFH GSU 0.008985 0.42523 7.00637
306 3WMX NAD 0.004256 0.41558 7.00637
307 1ZBQ NAD 0.004003 0.4043 7.00637
308 2D2I NAP 0.0002173 0.48016 7.10526
309 2XWL CTP 0.01587 0.41337 7.17489
310 3AD8 NAD 0.0000000005467 0.6531 7.17822
311 1LOB MMA 0.04108 0.41263 7.18232
312 2YG3 FAD 0.000000007023 0.58266 7.32484
313 1YY5 FAD 0.000000009508 0.55432 7.32484
314 1RSG FAD 0.00000003393 0.54784 7.32484
315 5MQ6 NDP 0.0000675 0.5022 7.32484
316 1GQ2 NAP 0.002556 0.41926 7.32484
317 4RSL FAD 0.000003431 0.50554 7.41573
318 2CJU PHX 0.02609 0.4169 7.43802
319 5L95 AMP 0.0001931 0.49528 7.5
320 2O07 MTA 0.004236 0.41304 7.56579
321 2O07 SPD 0.006212 0.4015 7.56579
322 1O6Z NAD 0.005907 0.41504 7.59076
323 5VN0 FAD 0.000000001383 0.61655 7.64331
324 4BV6 FAD 0.000000003457 0.59491 7.64331
325 2V3A FAD 0.00000003748 0.5667 7.64331
326 5TS5 FAD 0.00000003888 0.55165 7.64331
327 5I39 FAD 0.000001213 0.51416 7.64331
328 5VN0 NAI 0.00000003516 0.4789 7.64331
329 4AP3 NAP 0.0000009893 0.44007 7.64331
330 4AP3 FAD 0.0000009893 0.44007 7.64331
331 5CAE COA 0.006432 0.41346 7.66773
332 2JAJ D20 0.02717 0.40211 7.95848
333 1I8T FAD 0.000001617 0.50625 7.96178
334 3GD4 FAD 0.000000007723 0.49703 7.96178
335 3GD4 NAD 0.00000001199 0.44644 7.96178
336 1QMG APX 0.002155 0.43691 7.96178
337 2DKH FAD 0.002859 0.41431 7.96178
338 2DKH 3HB 0.005214 0.41135 7.96178
339 4JK3 NAD 0.0003502 0.4603 8.10811
340 2VVL FAD 0.00000004201 0.55044 8.28025
341 2XVF FAD 0.0000002194 0.54409 8.28025
342 2XVE FAD 0.000001874 0.52267 8.28025
343 5U8U FAD 0.000000002945 0.48714 8.28025
344 1GTE FAD 0.00000001448 0.48443 8.28025
345 3PT9 SAH 0.01268 0.41485 8.28025
346 1V9A SAH 0.03063 0.40257 8.3682
347 1I36 NAP 0.001351 0.44916 8.71212
348 1VBO MAN MAN MAN 0.01102 0.44887 8.72483
349 2GAG NAD 0.0000000006468 0.6334 8.9172
350 1KNR FAD 0.0000002835 0.52834 8.9172
351 4HA6 FAD 0.000001035 0.49495 8.9172
352 3AYI FAD 0.000000148 0.48764 8.9172
353 3AYI HCI 0.0000001608 0.48285 8.9172
354 2GAG FAD 0.000004708 0.46568 8.9172
355 2GAG FOA 0.000005462 0.46358 8.9172
356 5BQ5 ADP BEF 0.03895 0.40043 8.99471
357 4BQS ADP 0.02739 0.41513 9.09091
358 3GRU AMP 0.003154 0.42972 9.15254
359 5TTJ FAD 0.00000001839 0.57293 9.23567
360 5HSA FAS 0.000004733 0.48252 9.23567
361 5TVF PUT 0.04931 0.40633 9.41177
362 3OA2 NAD 0.003556 0.41353 9.43396
363 3GMB FAD 0.0000001952 0.55894 9.55414
364 5TUF FAD 0.0000008244 0.54449 9.55414
365 3FPZ AHZ 0.002247 0.45156 9.55414
366 5TUF TDC 0.00001027 0.41562 9.55414
367 4D79 ATP 0.00003987 0.53201 9.78261
368 5EVY FAD 0.00002329 0.52225 9.87261
369 1COY FAD 0.0000022 0.49361 9.87261
370 1BW9 NAD 0.0007303 0.46097 9.87261
371 1C1X NAD 0.001096 0.43988 9.87261
372 1COY AND 0.000006944 0.42802 9.87261
373 1P1C SAH 0.001006 0.45127 10.0503
374 5MUL BDP 0.02329 0.42728 10.1911
375 3IHG FAD 0.00000006234 0.60318 10.5096
376 1VI2 NAD 0.002904 0.43446 10.6667
377 3ORF NAD 0.003601 0.41332 10.757
378 4MOP 2H5 0.0000009911 0.46391 10.828
379 5BW4 SAM 0.003473 0.44498 10.8614
380 1ZEM NAD 0.009958 0.40032 11.0687
381 1NPD NAD 0.001711 0.43803 11.1111
382 5J7X FAD 0.0000004698 0.52849 11.1465
383 4D3F NAP 0.002642 0.43628 11.2903
384 2IDO TMP 0.03491 0.41614 11.2903
385 2YYY NAP 0.004225 0.41055 11.7834
386 1V59 NAD 0.0000008854 0.64021 12.1019
387 1V59 FAD 0.00000000009736 0.60885 12.1019
388 3UOY NAP 0.0000009754 0.42297 12.1019
389 3UOY FAD 0.0000009754 0.42297 12.1019
390 3HDY FAD 0.000007709 0.41748 12.1019
391 3HDY FDA 0.000008782 0.41636 12.1019
392 1YKF NAP 0.002689 0.4158 12.1019
393 3HDY GDU 0.000009324 0.41326 12.1019
394 4II2 ATP 0.00007344 0.50969 12.2699
395 3W68 PBU 0.04406 0.40869 12.406
396 1F8G NAD 0.008212 0.41447 13.0573
397 2CUL FAD 0.00000007713 0.56912 13.3621
398 5JWC FAD 0.00000001621 0.59374 13.3758
399 2OOR NAD 0.009331 0.41201 13.3758
400 1L7E NAI 0.01128 0.40302 13.3758
401 2DT5 NAD 0.0009966 0.43558 13.7441
402 1Q9I FAD 0.00000006317 0.47918 14.0127
403 1Q9I TEO 0.00000006317 0.47918 14.0127
404 3BFV ADP 0.04005 0.4064 14.0221
405 4QTU SAM 0.02029 0.40236 14.0741
406 1UYY BGC BGC 0.02503 0.42519 14.5038
407 2V3B FAD 0.00000003663 0.57153 14.5455
408 1VQW FAD 0.0000003414 0.55445 14.6497
409 1GPE FAD 0.0000009314 0.48799 15.6051
410 1JNR FAD 0.00000001264 0.6142 16
411 1LUA NAP 0.003477 0.43426 17.4216
412 1P77 ATR 0.001052 0.50064 17.6471
413 3ICT ADP 0.0000004757 0.65393 18.7898
414 3ICS ADP 0.0000007775 0.64308 18.7898
415 3ICR FAD 0.00000001154 0.58924 18.7898
416 3ICS FAD 0.00000001611 0.57945 18.7898
417 3ICT FAD 0.00000003417 0.5726 18.7898
418 2HK9 ATR 0.0002121 0.52527 18.9091
419 2HK9 NAP 0.001017 0.44122 18.9091
420 5ODQ FAD 0.0000000107 0.56389 19.7452
421 1JQY A32 0.04923 0.40885 20.3883
422 4USQ FAD 0.0007174 0.43772 21.0191
423 1Q19 SSC 0.006651 0.45672 22.293
424 2NPX FAD 0.00000000734 0.59617 23.8854
425 2NPX NAD 0.00000003806 0.4818 23.8854
426 1Q1R FAD 0.000000003264 0.60859 24.5223
427 3LXD FAD 0.000000009344 0.60244 25.1592
428 1FEC FAD 0.0000000005641 0.63076 25.4777
429 4USR FAD 0.0000001535 0.56745 25.7962
430 4EMI FAD 0.000000004464 0.59885 26.1146
431 4EMJ FAD 0.000000007638 0.58602 26.1146
432 4EMI NAD 0.00000002911 0.4756 26.1146
433 1XHC FAD 0.0000000001085 0.66668 27.0701
434 1GET NAP 0.000000002083 0.63749 27.0701
435 1GET FAD 0.000000001791 0.63749 27.0701
436 2WPF WPF 0.00000001044 0.63474 27.3885
437 2WPF FAD 0.00000001105 0.6313 27.3885
438 1BZL FAD 0.00000001833 0.41011 27.3885
439 2CDU FAD 0.0000000004298 0.60493 28.0255
440 2CDU ADP 0.0000008498 0.42005 28.0255
441 4M52 FAD 0.0000000004598 0.60826 28.3262
442 3FG2 FAD 0.0000000027 0.63316 28.3439
443 1YQZ FAD 0.00000006556 0.47095 28.9809
444 2RAB FAD 0.0000000003675 0.59868 29.6178
445 2RAB NAD 0.000000001793 0.49061 29.6178
446 3CGB FAD 0.0000000009224 0.62797 29.9363
447 3CGD COA 0.00000001397 0.61561 29.9363
448 3CGD FAD 0.00000001397 0.61561 29.9363
449 3CGD NAD 0.00000001397 0.61561 29.9363
450 5FA5 MTA 0.02229 0.40939 30
451 4M38 SAH 0.002785 0.4386 33.3333
452 1MO9 FAD 0.00000000804 0.44226 34.7134
453 1MO9 KPC 0.000000007528 0.44105 34.7134
454 3KLJ FAD 0.0000000002464 0.67209 36.6242
455 4NTC FAD 0.00000000009268 0.63844 37.5796
456 2F5Z FAD 0.0000000001373 0.64642 39.172
457 3RNM FAD 0.00000000008753 0.62383 39.172
458 1ZMD FAD 0.0000000001114 0.62128 39.172
459 1ZMD NAI 0.000009311 0.52981 39.172
460 4JNA FAD 0.0000000001695 0.62237 40.4459
461 4JDR FAD 0.0000000007831 0.60772 41.4013
462 4YRY FAD 0.0000000001372 0.62535 42.6752
463 4YRY NAD 0.000000001603 0.53439 42.6752
464 4NTD FAD 0.00004209 0.4889 43.3121
465 5JCA FAD 0.0000000002242 0.61844 43.6306
466 5JCA NDP 0.000000002603 0.49825 43.6306
467 3AB1 FAD 0.0000000002078 0.63438 44.586
Pocket No.: 4; Query (leader) PDB : 4UP3; Ligand: NDP; 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: 4up3.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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