Receptor
PDB id Resolution Class Description Source Keywords
3ITJ 2.4 Å EC: 1.8.1.9 CRYSTAL STRUCTURE OF SACCHAROMYCES CEREVISIAE THIOREDOXIN RE (TRR1) SACCHAROMYCES CEREVISIAE THIOREDOXIN REDUCTASE 1 ALPHA/BETA TYPE PROTEIN DISULFIDE BFLAVOPROTEIN NADP OXIDOREDUCTASE PHOSPHOPROTEIN REDOX-ACENTER
Ref.: INSIGHTS INTO THE SPECIFICITY OF THIOREDOXIN REDUCTASE-THIOREDOXIN INTERACTIONS. A STRUCTURAL AN FUNCTIONAL INVESTIGATION OF THE YEAST THIOREDOXIN S BIOCHEMISTRY V. 49 3317 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:501;
B:502;
B:506;
C:503;
C:505;
D:504;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
FAD A:400;
B:401;
C:402;
D:403;
Valid;
Valid;
Valid;
Valid;
none;
none;
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
3ITJ 2.4 Å EC: 1.8.1.9 CRYSTAL STRUCTURE OF SACCHAROMYCES CEREVISIAE THIOREDOXIN RE (TRR1) SACCHAROMYCES CEREVISIAE THIOREDOXIN REDUCTASE 1 ALPHA/BETA TYPE PROTEIN DISULFIDE BFLAVOPROTEIN NADP OXIDOREDUCTASE PHOSPHOPROTEIN REDOX-ACENTER
Ref.: INSIGHTS INTO THE SPECIFICITY OF THIOREDOXIN REDUCTASE-THIOREDOXIN INTERACTIONS. A STRUCTURAL AN FUNCTIONAL INVESTIGATION OF THE YEAST THIOREDOXIN S BIOCHEMISTRY V. 49 3317 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3ITJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
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: CIT; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 HCA 0.576923 0.884615
3 MAH 0.44 0.807692
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 : 3ITJ; Ligand: CIT; 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: 3itj.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3ITJ; Ligand: FAD; Similar sites found: 425
This union binding pocket(no: 2) in the query (biounit: 3itj.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WUJ FMN 0.03157 0.40334 1.36054
2 4RSL FAD 0.00002135 0.48794 1.47929
3 2F5X ASP 0.04462 0.41756 1.60256
4 1WP4 NDP 0.01009 0.4047 1.7301
5 1GWC GTX 0.02133 0.4275 1.73913
6 4REP FAD 0.0000002636 0.54628 1.77515
7 2V3A FAD 0.0000002904 0.48521 1.77515
8 5MST FUM 0.04477 0.4144 1.77515
9 1A5Z NAD 0.000259 0.48949 1.88088
10 2IID PHE 0.000000343 0.49018 2.07101
11 2IID FAD 0.000000343 0.49018 2.07101
12 5UAO FAD 0.000001127 0.46465 2.07101
13 3H9E NAD 0.001177 0.44655 2.07101
14 4XFR CIT 0.02527 0.42854 2.07101
15 5THY SAH 0.01274 0.41645 2.07101
16 1HSR BHO 0.04074 0.41429 2.07101
17 4CJN MUR 0.03284 0.41137 2.07101
18 2I80 G1L 0.03884 0.41008 2.07101
19 2HJR APR 0.001692 0.44926 2.13415
20 5GZ6 NDP 0.01023 0.42088 2.14724
21 5GZ6 7C3 0.01644 0.40601 2.14724
22 3VGL ANP 0.01576 0.42357 2.18069
23 3A4T SFG 0.01723 0.4069 2.18978
24 4K5S FAD 0.0000003915 0.56374 2.23881
25 4K5S PM0 0.00001451 0.45858 2.23881
26 3TAO PGH 0.03165 0.41902 2.24719
27 3DXY SAM 0.006518 0.45067 2.29358
28 3QVP FAD 0.000002655 0.47047 2.36686
29 3A25 SAM 0.01215 0.42342 2.36686
30 1SKQ GDP 0.03881 0.41713 2.36686
31 2E4U GLU 0.0496 0.40772 2.36686
32 1KEV NDP 0.004599 0.40497 2.36686
33 1KPG SAH 0.009452 0.41877 2.43902
34 5HWK BEZ 0.04082 0.42472 2.5
35 1HYH NAD 0.001703 0.42875 2.589
36 2QA1 FAD 0.00000004218 0.59115 2.66272
37 5WGR FAD 0.000002545 0.50799 2.66272
38 1T9D P22 0.02658 0.43104 2.66272
39 5LY3 ADP 0.02337 0.40968 2.66272
40 2I3G NAP 0.006261 0.40629 2.66272
41 5HCN GCP 0.01775 0.42874 2.68199
42 4YCA NDP 0.0005225 0.46239 2.72109
43 3OFK SAH 0.01736 0.40675 2.77778
44 1TPY SAH 0.01049 0.4175 2.78746
45 3G89 SAM 0.00902 0.4394 2.81124
46 4ZRN NAD 0.001092 0.42958 2.88462
47 4C5N ACP 0.006748 0.41973 2.89855
48 3AYI FAD 0.0000009713 0.49916 2.91262
49 3AYI HCI 0.000001147 0.49805 2.91262
50 5TTJ FAD 0.00000004251 0.57437 2.95858
51 5G3U FDA 0.000001057 0.52856 2.95858
52 1QO8 FAD 0.00000005979 0.51689 2.95858
53 5G3U ITW 0.00000892 0.47715 2.95858
54 3NYC IAR 0.00001269 0.45566 2.95858
55 3NYC FAD 0.00001391 0.45246 2.95858
56 3VM7 GLC 0.008689 0.45205 2.95858
57 5LD5 NAD 0.002006 0.44684 2.95858
58 5BR7 FAD 0.000006383 0.43747 2.95858
59 3HDY FAD 0.00002196 0.4206 2.95858
60 5BR7 FLC 0.00002842 0.41984 2.95858
61 3HDY FDA 0.0000264 0.41844 2.95858
62 3HDY GDU 0.00002812 0.41529 2.95858
63 3ABI NAD 0.005078 0.41224 2.95858
64 2I7C AAT 0.006949 0.40021 2.95858
65 1WDT GTP 0.0354 0.40019 2.95858
66 1CER NAD 0.0009744 0.45002 3.02115
67 3NRZ MTE 0.02629 0.40369 3.04878
68 5CSS G3P 0.02998 0.42029 3.09735
69 5F90 GLA GAL 0.01762 0.44282 3.20513
70 2Z3Y F2N 0.00000006079 0.51995 3.25444
71 5I39 FAD 0.000005824 0.50193 3.25444
72 2WET FAD 0.0000001894 0.49911 3.25444
73 4AP3 NAP 0.000001711 0.49905 3.25444
74 4RPL FAD 0.000004406 0.48593 3.25444
75 4RPL 3UC 0.000007938 0.48035 3.25444
76 2R4J 13P 0.00000456 0.46575 3.25444
77 2R4J FAD 0.000003945 0.46547 3.25444
78 2RGH FAD 0.000003729 0.4568 3.25444
79 4AP3 FAD 0.000001878 0.45423 3.25444
80 1QMG APX 0.003798 0.43363 3.25444
81 1GQ2 NAP 0.001902 0.43212 3.25444
82 4XDZ NDP 0.004362 0.42605 3.25444
83 5E4R NAP 0.004406 0.418 3.25444
84 1I0Z NAI 0.003357 0.41949 3.3033
85 3A27 SAM 0.008666 0.42968 3.30882
86 2DT5 NAD 0.0008959 0.44549 3.31754
87 1NYT NAP 0.01154 0.407 3.32103
88 1V9A SAH 0.03692 0.40495 3.34728
89 1VBO MAN MAN MAN 0.01584 0.44231 3.3557
90 1JJ7 ADP 0.04715 0.42097 3.46154
91 1NPD NAD 0.00223 0.44077 3.47222
92 2AQJ FAD 0.000001153 0.50355 3.5503
93 2AQJ TRP 0.000001587 0.498 3.5503
94 1COY FAD 0.000005194 0.49282 3.5503
95 1MUU NAD 0.0004084 0.46941 3.5503
96 4U8P FDA 0.00000158 0.43949 3.5503
97 4U8P UDP 0.000001799 0.43296 3.5503
98 1COY AND 0.00002294 0.43181 3.5503
99 4XDY NAI 0.005464 0.41918 3.5503
100 3JV7 NAD 0.004399 0.41475 3.5503
101 2F1K NAP 0.0005465 0.46063 3.58423
102 1HDG NAD 0.001852 0.44121 3.61446
103 4CJX NAP 0.003735 0.42895 3.76176
104 2B9W FAD 0.000001389 0.49767 3.77358
105 5EVY FAD 0.00001179 0.54621 3.84615
106 5J7X FAD 0.0000009152 0.53081 3.84615
107 2YVF FAD 0.0000007036 0.51158 3.84615
108 2YVF NAD 0.0000007584 0.51158 3.84615
109 2YVJ FAD 0.00000006353 0.49764 3.84615
110 4D04 NAP 0.000002682 0.4947 3.84615
111 4D04 FAD 0.000003009 0.44264 3.84615
112 5A0U CHT 0.02622 0.43137 3.84615
113 1G6H ADP 0.04141 0.41689 3.89105
114 3VYW SAM 0.02363 0.40321 3.8961
115 2YPI PGA 0.02753 0.42229 4.04858
116 1EZ4 NAD 0.002072 0.43704 4.08805
117 2IVD FAD 0.00000007264 0.57776 4.14201
118 1PS9 FAD 0.000000004616 0.54703 4.14201
119 4CNK FAD 0.00000003169 0.50834 4.14201
120 4USQ FAD 0.0000001021 0.48457 4.14201
121 1KNR FAD 0.00000101 0.47477 4.14201
122 3WGT FAD 0.000004138 0.47353 4.14201
123 3WGT QSC 0.000005334 0.47223 4.14201
124 4YNU FAD 0.00000218 0.47216 4.14201
125 4YNU LGC 0.000005682 0.46753 4.14201
126 1BW9 NAD 0.001564 0.45418 4.14201
127 1C1X NAD 0.002073 0.43616 4.14201
128 1YBH P22 0.02492 0.42387 4.14201
129 1C1X HFA 0.04505 0.40667 4.14201
130 4AMV F6R 0.03441 0.4065 4.14201
131 2QV7 ADP 0.03389 0.40684 4.1543
132 2GAG NAD 0.000000000127 0.57537 4.28571
133 2GAG FAD 0.00001657 0.45027 4.28571
134 2GAG FOA 0.00001949 0.44801 4.28571
135 3FV1 DYH 0.01201 0.40704 4.29688
136 3MB5 SAM 0.001949 0.44652 4.31373
137 3EGI ADP 0.02588 0.43095 4.36893
138 1JQ3 AAT 0.002325 0.41854 4.39189
139 1NAA 6FA 0.000003514 0.49239 4.43787
140 4HA6 FAD 0.000004198 0.48981 4.43787
141 4MIG G3F 0.000006984 0.46855 4.43787
142 3ZNN 4WL 0.00001356 0.46695 4.43787
143 3ZNN FAD 0.00001506 0.46301 4.43787
144 1NAA ABL 0.000008031 0.45374 4.43787
145 3GMB FAD 0.0000009404 0.45361 4.43787
146 5TME UDP 0.02159 0.42797 4.43787
147 2IXB NAD 0.00306 0.41865 4.43787
148 2YY8 SAM 0.01742 0.41217 4.47761
149 1UAY ADN 0.02906 0.41338 4.54545
150 5JWC FAD 0.00000004642 0.59101 4.73373
151 1H82 GZZ 0.0000006734 0.51326 4.73373
152 2X3N FAD 0.000005528 0.50497 4.73373
153 4DSG UDP 0.000002001 0.49683 4.73373
154 3K7M FAD 0.0000003351 0.49365 4.73373
155 1H82 FAD 0.0000004861 0.4845 4.73373
156 5HSA FAS 0.00001277 0.48051 4.73373
157 4BJZ P3A 0.00001229 0.47918 4.73373
158 4D7E FAD 0.00005071 0.47405 4.73373
159 1N4W FAD 0.000006067 0.46057 4.73373
160 1I8T FAD 0.00000271 0.45952 4.73373
161 4DSG FAD 0.000002396 0.45105 4.73373
162 4M38 SAH 0.003479 0.44171 4.73373
163 3B1J NAD 0.001065 0.43958 4.73373
164 3Q9T FAY 0.00002104 0.4315 4.73373
165 3EUF BAU 0.02686 0.41514 4.73373
166 5DXA SFG 0.01844 0.40377 4.73373
167 3G5S FAD 0.00000001635 0.51342 4.74041
168 2DUR MAN MAN 0.04081 0.42247 4.74308
169 4ZCC NAI 0.000001175 0.48746 4.7619
170 4ZCC FAD 0.000001175 0.48746 4.7619
171 9LDB NAD 0.002355 0.42317 4.81928
172 4MO2 FDA 0.000001052 0.53114 4.8913
173 4MO2 FAD 0.000001166 0.52579 4.8913
174 1ZMD FAD 0.0000000008006 0.61436 5.02959
175 2F5Z FAD 0.0000000009604 0.57347 5.02959
176 5TS5 FAD 0.00000004396 0.56549 5.02959
177 4TXI FAD 0.00000098 0.554 5.02959
178 1ZMD NAI 0.00001184 0.53543 5.02959
179 3E1T FAD 0.0000005449 0.49012 5.02959
180 2BRY FAD 0.0000002707 0.46415 5.02959
181 3GDN HBX 0.00001896 0.45713 5.02959
182 3GDN FAD 0.000006966 0.45548 5.02959
183 5EB4 FAD 0.000004375 0.45251 5.02959
184 1YKJ FAD 0.00005473 0.45192 5.02959
185 5MZI FAD 0.000004945 0.44712 5.02959
186 5MZI FYK 0.000004999 0.44424 5.02959
187 1YKJ PHB 0.0000598 0.41048 5.02959
188 3A1I UNU 0.04803 0.40848 5.02959
189 4BQS ADP 0.02764 0.42145 5.11364
190 2WJG GDP 0.03196 0.41806 5.31915
191 4Z24 FAD 0.0000005092 0.52524 5.32544
192 1REO FAD 0.00000005094 0.50998 5.32544
193 1GPE FAD 0.000003002 0.48985 5.32544
194 1NVM NAD 0.001403 0.43209 5.32544
195 3LU1 NAD 0.005853 0.40975 5.32544
196 1Q8S MAN MMA 0.03895 0.41796 5.55556
197 2AUY NAG MAN MMA 0.03833 0.40717 5.55556
198 2JB2 FAD 0.0000004676 0.53616 5.6213
199 2JB2 PHE 0.000000586 0.529 5.6213
200 5BUK FAD 0.0000001746 0.50307 5.6213
201 5EZ7 FAD 0.000005021 0.50091 5.6213
202 1YKF NAP 0.003484 0.41884 5.6213
203 1LDM NAD 0.004187 0.41562 5.6213
204 5H81 NAP 0.01801 0.40679 5.6213
205 3V1Y NAD 0.001466 0.44252 5.63798
206 2VVM FAD 0.0000001469 0.49986 5.65657
207 2VOH CIT 0.02495 0.44098 5.73248
208 3VPH OXM 0.0007018 0.43342 5.80645
209 3VPH NAD 0.001511 0.42574 5.80645
210 5OFW 9TW 0.03841 0.41979 5.8296
211 3WBF NAP 0.009037 0.40437 5.90164
212 1GRN AF3 0.01743 0.4406 5.91133
213 5KMS FAD 0.0000002565 0.5589 5.91716
214 3OZ2 FAD 0.00000009047 0.55728 5.91716
215 4X9M FAD 0.0000008395 0.52483 5.91716
216 1Y8Q ATP 0.0002257 0.48422 5.91716
217 5KMS NAD 0.00001404 0.43621 5.91716
218 2O07 MTA 0.006321 0.41317 5.92105
219 2O07 SPD 0.005991 0.40934 5.92105
220 3WV8 ATP 0.00002604 0.54593 5.9633
221 2PV7 NAD 0.004289 0.42018 6.04027
222 3AD8 NAD 0.0000000003999 0.5467 6.06061
223 3AD8 FAD 0.00005768 0.45367 6.06061
224 3AD8 PYC 0.00006485 0.40059 6.06061
225 5CAE COA 0.007761 0.41788 6.07029
226 1C3V NDP 0.006307 0.40617 6.12245
227 4FWE FAD 0.00000002317 0.53226 6.21302
228 5FAW CHT 0.02896 0.42893 6.21302
229 4OB6 S2T 0.01517 0.4244 6.21302
230 2V7Y ADP 0.02315 0.41208 6.21302
231 2IU8 PLM 0.0195 0.40709 6.21302
232 2Q1S NAI 0.0005005 0.40082 6.21302
233 5MBX SP5 0.0000004868 0.48753 6.23742
234 5MBX FAD 0.0000004868 0.48753 6.23742
235 3AXB FAD 0.0000009714 0.5324 6.25
236 3AXB PRO 0.000002874 0.49845 6.25
237 2ZXI FAD 0.00000008686 0.57048 6.27943
238 1RYI FAD 0.000001577 0.47101 6.28272
239 5JE8 NAD 0.00506 0.42327 6.29139
240 5D4V SAH 0.01161 0.4155 6.34328
241 2FT0 ACO 0.008954 0.43586 6.38298
242 4GUS FAD 0.00000002964 0.55791 6.45161
243 4GUT FAD 0.00000004001 0.53356 6.45161
244 4HSU FAD 0.00000006044 0.52248 6.45161
245 2A8X FAD 0.000000001723 0.60322 6.50888
246 3NKS FAD 0.0000002026 0.55712 6.50888
247 3QJ4 FAD 0.0000002428 0.55019 6.50888
248 1HKU NAD 0.001153 0.43547 6.50888
249 1Z45 NAD 0.003097 0.4209 6.50888
250 1M2W NAD 0.01244 0.41066 6.50888
251 3B6R ADP 0.04083 0.40274 6.50888
252 1IK4 PGH 0.04875 0.40485 6.57895
253 4RDH AMP 0.0001386 0.52698 6.59722
254 1ZQ9 SAM 0.0076 0.43241 6.66667
255 4YSX FAD 0.0000009824 0.52244 6.73759
256 5EOW FAD 0.0000002083 0.57103 6.80473
257 1O0S NAI 0.00122 0.45557 6.80473
258 4AT0 FAD 0.00004822 0.44018 6.80473
259 3GFB NAD 0.003441 0.42417 6.80473
260 5HS2 CTP 0.02783 0.4119 6.89655
261 2FK8 SAM 0.007678 0.42584 6.91824
262 1HPG BOC ALA ALA PRO GLU 0.03417 0.41302 6.95187
263 4G74 FAD 0.0000001331 0.56807 6.97211
264 4G74 UQ5 0.000002135 0.48757 6.97211
265 4D3F NAP 0.004745 0.43318 7.09677
266 1EQ2 NAP 0.01122 0.4013 7.09677
267 4M52 FAD 0.000000001136 0.56691 7.10059
268 2GV8 FAD 0.0000003424 0.56151 7.10059
269 1YY5 FAD 0.00000003723 0.52943 7.10059
270 1RSG FAD 0.0000001334 0.50706 7.10059
271 4OPC PGT 0.00001736 0.49319 7.10059
272 4OPC FDA 0.00001618 0.48763 7.10059
273 2GVC FAD 0.0000002639 0.46684 7.10059
274 1VQW FAD 0.000000341 0.4633 7.10059
275 2GV8 NDP 0.0009999 0.45599 7.10059
276 2DKH FAD 0.0000007856 0.45475 7.10059
277 2DKH 3HB 0.000005467 0.44968 7.10059
278 2RGJ FAD 0.000001365 0.44861 7.10059
279 5L95 AMP 0.0008211 0.47546 7.5
280 1JG3 ADN 0.01413 0.41947 7.65957
281 5ODQ FAD 0.00000002118 0.57226 7.69231
282 1JNR FAD 0.0000002183 0.54031 7.69231
283 4OKD GLC GLC GLC 0.04524 0.41305 7.69231
284 2A3Z ATP 0.02165 0.40769 7.69231
285 5DN9 NAD 0.007378 0.40001 7.69231
286 3AB4 LYS 0.04561 0.41323 7.86517
287 3FPZ AHZ 0.009457 0.41225 7.97546
288 5BVA FAD 0.0000002452 0.52892 7.98817
289 1E6E FAD 0.0000001393 0.48754 7.98817
290 1E1M FAD 0.000003652 0.46558 7.98817
291 1E1M NAP 0.000003531 0.46392 7.98817
292 2UZ1 TPP 0.01112 0.40771 7.98817
293 3QV1 NAD 0.0003642 0.4725 8.01187
294 3OA2 NAD 0.005202 0.41422 8.1761
295 2VVL FAD 0.0000001302 0.54787 8.28402
296 1PN0 FAD 0.000003595 0.48157 8.28402
297 1PN0 IPH 0.000004259 0.47648 8.28402
298 3IHG FAD 0.0000003288 0.44755 8.28402
299 1Q1R FAD 0.00000003173 0.58637 8.57988
300 4K28 NAD 0.001794 0.44268 8.57988
301 1J5P NAD 0.005539 0.41556 8.69565
302 2YG3 FAD 0.00000002067 0.57963 8.87574
303 3GD4 NAD 0.00000007181 0.5565 8.87574
304 3GD4 FAD 0.00000003795 0.55033 8.87574
305 5FJN BE2 0.000001621 0.4774 8.87574
306 5FJN FAD 0.0000009921 0.47602 8.87574
307 3GF4 FAD 0.00001638 0.44135 8.87574
308 3GF4 UPG 0.00001607 0.43332 8.87574
309 1Q9I TEO 0.0000001323 0.49618 9.28196
310 1Q9I FAD 0.0000001251 0.49436 9.28196
311 1LOB MMA 0.03138 0.42222 9.39227
312 2GMH FAD 0.000000176 0.54336 9.46746
313 4BV6 FAD 0.00000002787 0.51755 9.46746
314 5E5U MLI 0.009996 0.4613 9.54774
315 5J6Y BGC 0.01751 0.43887 9.57447
316 5J6Y GLC 0.01751 0.43887 9.57447
317 2Q1W NAD 0.0006801 0.44178 9.60961
318 4EIP FAD 0.0000208 0.45976 9.76331
319 4EIP K2C 0.00002829 0.44505 9.76331
320 3UOY NAP 0.000003057 0.49662 10.0592
321 3UOY FAD 0.000003538 0.43094 10.0592
322 1RP0 AHZ 0.00000009532 0.47101 10.2113
323 1KPH SAH 0.01185 0.41509 10.453
324 4C3Y FAD 0.000005836 0.45626 10.6509
325 2Y6Q I7T 0.00001721 0.45185 10.6509
326 2Y6Q FAD 0.0000009723 0.44983 10.6509
327 4C3Y ANB 0.00002835 0.44548 10.6509
328 2CUL FAD 0.0000002606 0.47568 10.7759
329 5TUK FAD 0.000001113 0.57047 10.9467
330 4J36 FAD 0.000001065 0.45368 10.9467
331 4J36 1HR 0.000009959 0.4529 10.9467
332 5FA5 MTA 0.01662 0.42319 10.9467
333 1D1T NAD 0.009059 0.40288 10.9467
334 1KK8 BEF ADP 0.02883 0.40737 11.039
335 5MQ6 NDP 0.00009026 0.50684 11.2426
336 2XVF FAD 0.00000047 0.47479 11.2426
337 1ELI PYC 0.00009515 0.41284 11.2426
338 2XVE FAD 0.00000778 0.47769 11.5385
339 2RGO FAD 0.000005645 0.44368 11.8343
340 5MUL BDP 0.02632 0.43194 12.065
341 1FC4 AKB PLP 0.03455 0.4007 12.1302
342 4D79 ATP 0.0001982 0.50916 12.3188
343 5TUF FAD 0.000003966 0.53022 12.426
344 5TUF TDC 0.00004706 0.41771 12.426
345 1P77 ATR 0.003088 0.48259 12.5
346 4MOP 2H5 0.000005846 0.46297 13.1122
347 3UCL CYH 0.000004931 0.48794 13.3136
348 3UCL NAP 0.000005953 0.48794 13.3136
349 3UCL FAD 0.000004533 0.48647 13.3136
350 4QTU SAM 0.01925 0.41011 13.3333
351 3S5W FAD 0.000003181 0.43192 13.9053
352 1O94 ADP 0.000000001529 0.70992 14.497
353 3WE0 FAD 0.0000006185 0.51766 14.497
354 3T31 DCQ 0.000003235 0.48697 14.497
355 3T31 FAD 0.000003071 0.48553 14.497
356 1DJN ADP 0.000000003348 0.47099 14.497
357 4TM3 FAD 0.00002816 0.46559 14.497
358 5C2N NAG 0.04995 0.41633 14.5833
359 5EFW FMN 0.03288 0.40248 15
360 3LQV ADE 0.003655 0.46792 15.3846
361 5U8U FAD 0.0000000364 0.48691 17.4556
362 2C7G FAD 0.000003908 0.48327 17.4556
363 2C7G ODP 0.000007299 0.47352 17.4556
364 4JDR FAD 0.000000002449 0.6072 18.3432
365 2HQM FAD 0.000000003824 0.5521 18.9349
366 3FG2 FAD 0.000000009246 0.62632 19.8225
367 4IV9 FAD 0.0000003273 0.53782 20.1183
368 3SQP FAD 0.0000002649 0.58058 20.4142
369 1V59 FAD 0.000000001223 0.57679 20.7101
370 3KLJ FAD 0.00000001087 0.50416 21.039
371 2V3B FAD 0.0000003007 0.48171 21.8182
372 3LXD FAD 0.00000006238 0.49071 21.9277
373 4USR FAD 0.0000001265 0.47588 22.1893
374 2WPF WPF 0.00000005009 0.57828 22.7811
375 2WPF FAD 0.00000005655 0.57409 22.7811
376 1BZL FAD 0.0000002857 0.55042 23.3728
377 3LAD FAD 0.000000001795 0.56186 23.6686
378 2NPX FAD 0.00000007997 0.57178 23.9645
379 2NPX NAD 0.000001158 0.46401 23.9645
380 1YQZ FAD 0.000003125 0.44931 24.5562
381 1MO9 KPC 0.00000008466 0.55876 25.1479
382 1MO9 FAD 0.00000009606 0.556 25.1479
383 1XHC FAD 0.000000002187 0.53523 25.3406
384 1LVL FAD 0.000000002361 0.59863 25.7642
385 1LVL NAD 0.000003304 0.58087 25.7642
386 1ZK7 FAD 0.0000000006295 0.60866 26.0355
387 2RAB NAD 0.000000039 0.55809 26.0355
388 2RAB FAD 0.000000004271 0.55743 26.0355
389 4EMI FAD 0.00000003761 0.5792 26.3314
390 1GET FAD 0.00000001684 0.57011 26.3314
391 1GET NAP 0.00000001966 0.57011 26.3314
392 1D4D FAD 0.00000008186 0.51518 26.3314
393 4EMJ FAD 0.00000004365 0.51008 26.3314
394 4EMI NAD 0.0000003892 0.46964 26.3314
395 2V6O FAD 0.0000001799 0.44753 26.3314
396 2CDU FAD 0.00000001402 0.51483 26.9231
397 3ICT FAD 0.00000006411 0.49878 26.9231
398 3ICS FAD 0.0000001059 0.49635 26.9231
399 3ICR FAD 0.00000008792 0.4953 26.9231
400 3CGB FAD 0.0000000314 0.50723 28.1065
401 3CGD NAD 0.00000122 0.51779 28.6982
402 3CGD FAD 0.000001264 0.51439 28.6982
403 3CGD COA 0.000001264 0.51439 28.6982
404 3NTA FAD 0.00000009563 0.56468 29.8817
405 3NT6 FAD 0.000000056 0.50422 29.8817
406 3NTD FAD 0.00000007464 0.50064 29.8817
407 1FEC FAD 0.000000003175 0.56765 31.0651
408 2E5V FAD 0.0000006852 0.48783 31.9527
409 4NTC FAD 0.00000000004559 0.60553 34.6154
410 3RNM FAD 0.0000000005772 0.58002 36.0947
411 1GTE FAD 0.00000006304 0.49145 36.9823
412 3AB1 FAD 0.000000001769 0.61684 37.574
413 5VN0 FAD 0.00000002255 0.58861 39.0533
414 5VN0 NAI 0.0000009744 0.46539 39.0533
415 5JCM ISD 0.0000005989 0.515 40.8284
416 5JCM FAD 0.0000005571 0.515 40.8284
417 5JCM NAD 0.0000005989 0.515 40.8284
418 3LZW FAD 0.000000008778 0.60183 41.2651
419 3LZW NAP 0.000000128 0.49088 41.2651
420 5JCA FAD 0.000000002886 0.60173 41.4201
421 5JCA NDP 0.00000007267 0.48946 41.4201
422 4NTD FAD 0.000000000169 0.57675 42.0588
423 4JNA FAD 0.0000000001803 0.64104 42.3529
424 4YRY FAD 0.0000000002974 0.63533 43.4911
425 4YRY NAD 0.00000001747 0.53441 43.4911
Pocket No.: 3; Query (leader) PDB : 3ITJ; Ligand: FAD; 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: 3itj.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3ITJ; Ligand: CIT; Similar sites found: 103
This union binding pocket(no: 4) in the query (biounit: 3itj.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3DJL FAD 0.009658 0.45546 1.47929
2 4WAS NAP 0.03902 0.42454 1.47929
3 1NLM UD1 0.009849 0.44269 1.77515
4 2XTZ GSP 0.01238 0.42216 1.77515
5 3CB2 GDP 0.003901 0.42116 1.77515
6 4EPL JAI 0.0111 0.41895 1.77515
7 2GRU NAD 0.03201 0.41075 1.77515
8 3KJS NAP 0.01197 0.43117 2.07101
9 1SVK ALF GDP 0.01616 0.42838 2.07101
10 3KJS DQ1 0.0387 0.4262 2.07101
11 4X1T UDP 0.007324 0.41879 2.07101
12 2PQB GG9 0.003112 0.41593 2.07101
13 1BH2 GSP 0.02228 0.40972 2.22222
14 2VF7 ADP 0.02633 0.40818 2.25653
15 3ZEI AWH 0.0381 0.4277 2.25806
16 2VCH UDP 0.001215 0.48295 2.36686
17 1XV5 UDP 0.0008569 0.46303 2.36686
18 4KQI RBZ 0.009702 0.43935 2.36686
19 2JLB UDM 0.0278 0.42743 2.36686
20 3RG9 NDP 0.01957 0.42866 2.5
21 3RG9 WRA 0.02173 0.42866 2.5
22 4BAS GNP 0.02108 0.41794 2.51256
23 1JUV NDP 0.04653 0.41393 2.59067
24 1AJS PLA 0.02916 0.42383 2.66272
25 3PNL ADP 0.006595 0.4328 2.8436
26 1U08 PLP 0.02001 0.40587 2.95858
27 1D1G NDP 0.01025 0.41348 2.97619
28 3ZCB ATP 0.02158 0.40264 3.0303
29 3HBF MYC 0.000808 0.49613 3.25444
30 3HBF UDP 0.007851 0.44351 3.25444
31 4RPL FAD 0.03935 0.43496 3.25444
32 5BNW 12V 0.00239 0.48543 3.5503
33 4GYW UDP 0.01692 0.44987 3.5503
34 2IW1 U2F 0.01691 0.40314 3.5503
35 1MV8 NAD 0.02865 0.40127 3.5503
36 2W9S NDP 0.02388 0.40596 3.72671
37 4D04 NAP 0.002036 0.45537 3.84615
38 1OJ7 NZQ 0.02348 0.42802 3.84615
39 4RGQ NDP 0.02219 0.42676 3.84615
40 2YVJ NAI 0.005032 0.42649 3.84615
41 5EY0 GTP 0.02783 0.41403 4.0146
42 2QTV GNP 0.02279 0.41464 4.14201
43 1ZPD DPX 0.02807 0.41236 4.14201
44 1M2O GNP 0.02553 0.40494 4.14201
45 2BL9 CP6 0.001524 0.49607 4.20168
46 1RQ2 CIT 0.01306 0.42052 4.43787
47 3FRK TQP 0.01225 0.41824 4.43787
48 1VGV UD1 0.0157 0.42808 4.6875
49 3ZRR PXG 0.01519 0.43003 4.73373
50 3BEO UDP 0.00998 0.42519 4.73373
51 1F6D UDP 0.003827 0.44649 4.78723
52 3ZLM ANP 0.0104 0.4007 4.78723
53 2F5Z FAD 0.02433 0.45558 5.02959
54 4XSU UDP 0.01374 0.44363 5.02959
55 4XSU GLC 0.01374 0.44363 5.02959
56 4HVK PMP 0.006708 0.44082 5.02959
57 2Z5F A3P 0.0202 0.41262 5.03356
58 4LRZ ADP 0.004357 0.44547 5.6213
59 2PRG BRL 0.03936 0.41246 5.68182
60 2Q1S NAI 0.03456 0.42224 6.21302
61 2HNK SAH 0.02088 0.41302 6.27615
62 1QAW TRP 0.02755 0.4113 6.75676
63 1PJS NAD 0.03674 0.41658 6.80473
64 5FBN 5WF 0.01385 0.41226 7.01107
65 2Q0D ATP 0.02452 0.42773 7.10059
66 2GVC FAD 0.04967 0.42101 7.10059
67 4LNU GDP 0.008737 0.41374 7.10059
68 4LNU GTP 0.01238 0.4025 7.10059
69 4NES UDP 0.02953 0.41872 7.39645
70 3V2U ATP 0.00371 0.45251 7.69231
71 3GJX GTP 0.0101 0.43171 7.98817
72 1YQT ADP 0.001924 0.47224 8.87574
73 1H9A NAP 0.02679 0.42594 9.1716
74 3UOY NAP 0.005318 0.44381 10.0592
75 1JYL CDC 0.02263 0.4168 10.2362
76 3FCI 3FI 0.009554 0.41781 10.3139
77 5UWP GNP 0.01645 0.40121 10.5485
78 5UWI GNP 0.02421 0.40087 10.5485
79 4C3Y FAD 0.03851 0.40582 10.6509
80 2XVE FAD 0.04093 0.42013 11.5385
81 1OCU PIB 0.01648 0.40616 12.3457
82 3UCL CYH 0.002884 0.4794 13.3136
83 3UCL NAP 0.003082 0.4794 13.3136
84 3UCL FAD 0.002884 0.4794 13.3136
85 3S5W NAP 0.001198 0.48879 13.9053
86 1AQU A3P 0.02292 0.40179 14.4781
87 4TM3 FAD 0.0004548 0.50504 14.497
88 5HPY GDP 0.02945 0.40062 15.1351
89 3CR3 ADP 0.01251 0.406 16.5289
90 2GCO GNP 0.01885 0.40956 16.9154
91 2C7G ODP 0.01812 0.44901 17.4556
92 2C7G FAD 0.01855 0.44901 17.4556
93 3RYC GTP 0.01066 0.41086 18.1818
94 3RYC GDP 0.02008 0.40275 18.1818
95 2HQM FAD 0.03938 0.43755 18.9349
96 5DXV NAP 0.01937 0.40085 20.5128
97 2CIG 1DG 0.01723 0.44318 21.3836
98 1Q2C COA 0.04629 0.40012 22.2222
99 1MO9 FAD 0.03552 0.4216 25.1479
100 2RAB NAD 0.01162 0.44729 26.0355
101 2RAB FAD 0.02692 0.44315 26.0355
102 1GET NAP 0.005837 0.47476 26.3314
103 1GET FAD 0.005596 0.47476 26.3314
Pocket No.: 5; Query (leader) PDB : 3ITJ; Ligand: FAD; Similar sites found: 26
This union binding pocket(no: 5) in the query (biounit: 3itj.bio2) has 48 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5HTX ADP 0.04645 0.40854 1.18343
2 4TQK NAG 0.0472 0.41505 1.77515
3 3CV3 UDP 0.0269 0.40811 2.07101
4 2VDV SAM 0.0395 0.40576 2.84553
5 3PP0 03Q 0.01367 0.4107 2.95858
6 1S9D GDP 0.04859 0.4042 3.04878
7 3C8Z 5CA 0.02154 0.40703 3.25444
8 2GCG NDP 0.01065 0.40064 3.63636
9 4L80 OXL 0.02509 0.42967 3.84615
10 1F8G NAD 0.02259 0.40077 4.14201
11 1P9B GDP 0.03704 0.40125 4.43787
12 1UGX GAL MGC 0.04855 0.411 4.51128
13 3HNC TTP 0.01021 0.43221 5.02959
14 5F6U 5VK 0.0326 0.41066 5.09554
15 2Z9I GLY ALA THR VAL 0.04102 0.41828 5.24691
16 5BTX CMP 0.01963 0.43235 6.16438
17 4UP4 NDG 0.04554 0.41168 6.50888
18 4UP4 NAG 0.04554 0.41168 6.50888
19 2EV9 SKM 0.007217 0.40085 6.84411
20 4Z94 ATP 0.02386 0.41067 7.69231
21 2FF6 ATP 0.02275 0.40591 7.69231
22 1T44 ATP 0.02689 0.40247 7.69231
23 1B7T ADP 0.0448 0.40293 10.8974
24 4WJT NAG 0.03072 0.40526 11.976
25 1HE1 AF3 0.02677 0.4302 15.9091
26 4H2W AMP 0.03205 0.40732 20.3883
Pocket No.: 6; Query (leader) PDB : 3ITJ; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3itj.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3ITJ; Ligand: CIT; 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: 3itj.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3ITJ; Ligand: CIT; Similar sites found: 184
This union binding pocket(no: 8) in the query (biounit: 3itj.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DL5 SAH 0.000436 0.51027 1.26183
2 2D5A COA 0.02326 0.40845 1.38889
3 5T67 SAH 0.01275 0.43744 1.47929
4 5T67 JHZ 0.01595 0.43433 1.47929
5 1PL6 572 0.018 0.40701 1.47929
6 1PL6 NAD 0.01082 0.40597 1.47929
7 3HF3 FMN 0.0352 0.40037 1.47929
8 2CVZ NDP 0.003159 0.44893 1.7301
9 2FZW NAD 0.01105 0.44504 1.77515
10 1CDO NAD 0.01354 0.4108 1.77515
11 5UAO FAD 0.0092 0.4458 2.07101
12 5THZ SAH 0.02812 0.41318 2.07101
13 4E5N NAD 0.031 0.40304 2.12121
14 1Z6Z NAP 0.03395 0.40338 2.12766
15 1F06 2NP 0.0005402 0.5196 2.1875
16 1F06 NDP 0.0005402 0.5196 2.1875
17 4O1M NAD 0.03962 0.40028 2.22222
18 3DUW SAH 0.02104 0.40424 2.24215
19 5X20 NAD 0.0226 0.4099 2.24359
20 3HVJ 705 0.009717 0.4386 2.26244
21 1W5T ANP 0.0222 0.4076 2.36686
22 3QVP FAD 0.03234 0.40722 2.36686
23 1X14 NAD 0.01166 0.40624 2.36686
24 1S7G NAD 0.01934 0.41547 2.37154
25 4BVA T3 0.03194 0.40906 2.38806
26 4BVA NDP 0.02431 0.40906 2.38806
27 1D5C GDP 0.03117 0.40148 2.46914
28 1G0N NDP 0.03701 0.41025 2.4735
29 1G0N PHH 0.04473 0.40744 2.4735
30 5N2I NAP 0.002857 0.45736 2.58621
31 5CUQ NSC 0.003346 0.45624 2.62172
32 1VJT NAD 0.0115 0.40194 2.66272
33 3AYI HCI 0.003545 0.47312 2.91262
34 3AYI FAD 0.003443 0.47312 2.91262
35 2PT9 S4M 0.001612 0.46333 2.95858
36 2PT9 2MH 0.002487 0.46333 2.95858
37 1QO8 FAD 0.00413 0.45633 2.95858
38 4Y2H 49K 0.02972 0.41235 2.95858
39 4RQU NAD 0.01726 0.40622 2.95858
40 3A7R LAQ 0.02608 0.41417 2.96736
41 1JXZ BCA 0.02044 0.40367 2.97398
42 1NZY BCA 0.02114 0.40257 2.97398
43 2Z3Y F2N 0.005419 0.46798 3.25444
44 3FWN ATR 0.005551 0.44806 3.25444
45 2RGH FAD 0.009622 0.43131 3.25444
46 2DFV NAD 0.01228 0.42646 3.25444
47 3D3W NAP 0.0163 0.41709 3.27869
48 2VYN NAD 0.02745 0.40608 3.32326
49 3CB0 FMN 0.01059 0.40889 3.46821
50 4JK3 NAD 0.01847 0.40806 3.4749
51 3TWO NDP 0.01569 0.42322 3.5503
52 2YNC YNC 0.02557 0.42133 3.5503
53 5T9E NAP 0.01538 0.40577 3.69004
54 4FZV SAM 0.01377 0.41268 3.76569
55 2B9W FAD 0.005627 0.46787 3.77358
56 4HVA 4HV 0.03767 0.40137 3.77358
57 3RKR NAP 0.02086 0.40093 3.81679
58 2YVF FAD 0.003047 0.49095 3.84615
59 2YVF NAD 0.003127 0.49095 3.84615
60 1BXG NAD 0.0122 0.42274 3.84615
61 4C4A SAH 0.01302 0.4144 3.90173
62 3KJI ADP 0.0153 0.41206 3.93701
63 3FUU ADN 0.0192 0.40147 4.05904
64 1FIQ FAD 0.005494 0.44712 4.10959
65 1PS9 NAP 0.0005823 0.49304 4.14201
66 1PS9 FAD 0.001871 0.48713 4.14201
67 1ZH8 NAP 0.001146 0.47323 4.14201
68 3L9W AMP 0.01411 0.41227 4.14201
69 3L9W GSH 0.01283 0.41227 4.14201
70 4USQ FAD 0.02418 0.40807 4.14201
71 1L7E NAI 0.01562 0.40197 4.14201
72 5E72 SAM 0.04598 0.4016 4.14201
73 1NVT NAP 0.001196 0.4675 4.18118
74 4I5I NAD 0.01183 0.42637 4.18118
75 2AG8 NAP 0.00135 0.45734 4.18251
76 2GAG NAD 0.00133 0.48521 4.28571
77 3GMB FAD 0.004344 0.44962 4.43787
78 2IZ1 ATR 0.005789 0.44347 4.43787
79 1F8F NAD 0.01243 0.41757 4.43787
80 1RX0 FAD 0.04566 0.40235 4.43787
81 4BJZ P3A 0.032 0.43423 4.73373
82 4DSG UDP 0.04322 0.4255 4.73373
83 4DSG FAD 0.04413 0.4255 4.73373
84 1H82 GZZ 0.03112 0.42398 4.73373
85 1WDK NAD 0.008652 0.42332 4.73373
86 1H82 FAD 0.03917 0.41664 4.73373
87 1I8T FAD 0.03003 0.41465 4.73373
88 2D2I NAP 0.02491 0.40741 4.73373
89 4M37 SAH 0.01853 0.40658 4.73373
90 4ONQ SFG 0.02195 0.40209 4.73373
91 3WLE NAD 0.003778 0.45584 4.98534
92 1LSS NAD 0.002769 0.44046 5
93 1YKJ FAD 0.01573 0.44341 5.02959
94 3E1T FAD 0.006143 0.44182 5.02959
95 3GDN FAD 0.03489 0.40226 5.02959
96 3GDN HBX 0.04336 0.40226 5.02959
97 2BRY FAD 0.0186 0.40219 5.02959
98 1L3I SAH 0.01989 0.4035 5.20833
99 1REO FAD 0.006897 0.44172 5.32544
100 2DBZ NAP 0.005579 0.45314 5.38922
101 1P1C SAH 0.01292 0.42101 5.52764
102 1LYX PGA 0.00913 0.42692 5.64516
103 2VVM FAD 0.01769 0.42479 5.65657
104 5UAV TFB 0.01493 0.42351 5.90062
105 5UAV NDP 0.01433 0.42351 5.90062
106 1H6C NDP 0.003897 0.45718 5.91716
107 4IDC 1XX 0.03598 0.4063 5.91716
108 4IDC NDP 0.03598 0.4063 5.91716
109 2G5C NAD 0.02272 0.40687 6.04982
110 3AD8 NAD 0.001662 0.4754 6.06061
111 3AD8 FAD 0.01316 0.45153 6.06061
112 2Y7I ARG 0.01915 0.40418 6.11354
113 4FWE FAD 0.01009 0.4444 6.21302
114 1P0F NAP 0.008512 0.44207 6.21302
115 3SSO SAH 0.0126 0.41009 6.21302
116 3Q9N COA 0.01136 0.4282 6.38298
117 4GUT FAD 0.01002 0.44692 6.45161
118 4HSU FAD 0.009005 0.44066 6.45161
119 1VG9 GDP 0.01465 0.41769 6.48649
120 2HIM ASN 0.01696 0.40093 6.50888
121 2EV9 NAP 0.009615 0.42702 6.84411
122 2OOR NAD 0.02132 0.4045 6.89655
123 2DKH FAD 0.002223 0.46833 7.10059
124 2DKH 3HB 0.002893 0.46833 7.10059
125 1RSG FAD 0.008865 0.44298 7.10059
126 1YY5 FAD 0.01474 0.43778 7.10059
127 1KOL NAD 0.01669 0.42866 7.10059
128 1VQW FAD 0.00956 0.42658 7.10059
129 4M52 FAD 0.02383 0.41101 7.10059
130 3CIF G3H 0.03184 0.41338 7.39645
131 4D42 W0I 0.02028 0.42752 7.80142
132 4D42 NAP 0.02028 0.42752 7.80142
133 1E6E FAD 0.009097 0.44224 7.98817
134 1ICP FMN 0.04059 0.40061 7.98817
135 2PWY SAH 0.00266 0.44512 8.13953
136 3IHG FAD 0.00009755 0.5468 8.28402
137 5FJN FAD 0.001755 0.48755 8.87574
138 5FJN BE2 0.00189 0.48755 8.87574
139 3GD4 NAD 0.006887 0.47363 8.87574
140 3GD4 FAD 0.02038 0.43711 8.87574
141 4BV6 FAD 0.01438 0.4285 9.46746
142 1LDN NAD 0.03323 0.40029 9.49367
143 3B1F NAD 0.001384 0.47213 9.65517
144 2HMT NAI 0.00411 0.43823 9.72222
145 2VHW NAI 0.0161 0.43115 9.76331
146 1D1T NAD 0.008127 0.43018 10.9467
147 2XVF FAD 0.004004 0.45305 11.2426
148 1ELI PYC 0.008526 0.4424 11.2426
149 3WYG GTP 0.03351 0.4137 11.8421
150 1SAY PYR 0.002821 0.4536 11.9114
151 1P77 ATR 0.001327 0.40217 12.5
152 1NRJ GTP 0.04547 0.40004 12.6582
153 1JAY NAP 0.001782 0.47934 14.1509
154 3T31 DCQ 0.003992 0.46644 14.497
155 3T31 FAD 0.003777 0.46644 14.497
156 1DJN ADP 0.01036 0.41081 14.497
157 2HK9 NAP 0.004048 0.44451 15.6364
158 2HK9 ATR 0.001941 0.43511 15.6364
159 3SQP FAD 0.003104 0.52852 20.4142
160 1V59 NAD 0.0002047 0.49603 20.7101
161 1V59 FAD 0.01818 0.41898 20.7101
162 3GGO NAI 0.03693 0.40026 21.0191
163 3GGO ENO 0.03693 0.40026 21.0191
164 3KLJ FAD 0.01585 0.42079 21.039
165 4USR FAD 0.01301 0.42339 22.1893
166 2WPF FAD 0.001299 0.52499 22.7811
167 2WPF WPF 0.002817 0.49806 22.7811
168 1MO9 KPC 0.00003666 0.61592 25.1479
169 3ICS FAD 0.00704 0.43696 26.9231
170 3ICR FAD 0.007458 0.43525 26.9231
171 3ICT FAD 0.01041 0.42807 26.9231
172 2CDU ADP 0.006357 0.42125 26.9231
173 2CDU FAD 0.01707 0.41785 26.9231
174 3ICT ADP 0.01142 0.40183 26.9231
175 3CGB FAD 0.009295 0.43557 28.1065
176 3CGD NAD 0.01161 0.46034 28.6982
177 3CGD COA 0.01161 0.46034 28.6982
178 3CGD FAD 0.01161 0.46034 28.6982
179 3NTD FAD 0.00891 0.436 29.8817
180 2E5V FAD 0.04824 0.40878 31.9527
181 3RNM FAD 0.006752 0.44542 36.0947
182 5JCM FAD 0.00576 0.45707 40.8284
183 5JCM ISD 0.005897 0.45707 40.8284
184 5JCM NAD 0.005897 0.45707 40.8284
Pocket No.: 9; Query (leader) PDB : 3ITJ; Ligand: CIT; 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: 3itj.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3ITJ; Ligand: FAD; 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: 3itj.bio2) has 46 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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