Receptor
PDB id Resolution Class Description Source Keywords
3ICR 2.1 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF OXIDIZED BACILLUS ANTHRACIS COADR-RHD BACILLUS ANTHRACIS PYRIDINE NUCLEOTIDE-DISULFIDE OXIDOREDUCTASE CLASS I RHODANCOENZYME A FLAVIN ADENINE DINUCLEOTIDE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE AND CATALYTIC PROPERTIES OF BACIL ANTHRACIS COADR-RHD: IMPLICATIONS FOR FLAVIN-LINKED TRAFFICKING. BIOCHEMISTRY V. 48 9650 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:556;
B:556;
Invalid;
Invalid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
FAD A:555;
B:555;
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
3ICR 2.1 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF OXIDIZED BACILLUS ANTHRACIS COADR-RHD BACILLUS ANTHRACIS PYRIDINE NUCLEOTIDE-DISULFIDE OXIDOREDUCTASE CLASS I RHODANCOENZYME A FLAVIN ADENINE DINUCLEOTIDE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE AND CATALYTIC PROPERTIES OF BACIL ANTHRACIS COADR-RHD: IMPLICATIONS FOR FLAVIN-LINKED TRAFFICKING. BIOCHEMISTRY V. 48 9650 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 3ICR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 3ICR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 3ICR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 3ICR; Ligand: FAD; Similar sites found: 611
This union binding pocket(no: 1) in the query (biounit: 3icr.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2DKH FAD 0.000000007621 0.61063 1.02041
2 2DKH 3HB 0.00000005443 0.54703 1.02041
3 1H82 FAD 0.000000121 0.46604 1.27119
4 1H82 GZZ 0.0000001736 0.4454 1.27119
5 4LEB THR THR THR THR THR THR THR 0.01559 0.43125 1.33333
6 2ZXI FAD 0.000000008094 0.58903 1.36054
7 1NVT NAP 0.003906 0.41956 1.39373
8 1UP7 NAD 0.004425 0.41446 1.43885
9 4EIP K2C 0.00000002818 0.58527 1.45719
10 4EIP FAD 0.00000002818 0.58527 1.45719
11 5UAO FAD 0.0000009826 0.518 1.47874
12 3PDB OAA 0.03798 0.41126 1.49626
13 3V1U NAD 0.0006908 0.44794 1.51515
14 5WGR FAD 0.0000002787 0.51825 1.53061
15 1LJ8 NAD 0.00243 0.43464 1.62272
16 1M2W NAD 0.002834 0.42852 1.62272
17 1H2B NAJ 0.002168 0.40877 1.67131
18 3Q3C NAD 0.01067 0.40109 1.67224
19 2ZIF SAM 0.004213 0.43069 1.6835
20 5EOW FAD 0.000000004154 0.58456 1.70068
21 4MIG G3F 0.0000005423 0.47062 1.70068
22 3CBG SAH 0.0006635 0.47581 1.72414
23 2B4R NAD 0.0001369 0.45947 1.73913
24 2B4R AES 0.0003647 0.44625 1.73913
25 3UCL FAD 0.000003085 0.5291 1.7452
26 3UCL CYH 0.000003085 0.40781 1.7452
27 3UCL NAP 0.000003313 0.40052 1.7452
28 3E1T FAD 0.0000000005965 0.58328 1.75781
29 1KOL NAD 0.002149 0.40209 1.75879
30 1F8G NAD 0.004199 0.42423 1.82292
31 1L7E NAI 0.003435 0.42192 1.82292
32 3DMH SAM 0.002068 0.44116 1.83727
33 3DMH GMP 0.003661 0.41244 1.83727
34 2EJU SAH 0.001027 0.46261 1.85185
35 5F8F SFG 0.002495 0.45267 1.85676
36 3T7S SAM 0.0129 0.41157 1.86567
37 3X0D SAH 0.0001625 0.49495 1.87075
38 1H5Q NAP 0.001991 0.41506 1.88679
39 3OA2 NAD 0.005887 0.40171 1.88679
40 2IYF UDP 0.03002 0.41403 1.92771
41 3CIF NAD 0.00009298 0.47279 1.94986
42 3CIF G3H 0.002308 0.40319 1.94986
43 4DPL NAP 0.005313 0.40108 1.94986
44 2Q28 ADP 0.008791 0.41613 1.95035
45 1BW9 NAD 0.0003098 0.47379 1.96629
46 1BXG NAD 0.0002267 0.46439 1.96629
47 1C1X NAD 0.0002399 0.46339 1.97183
48 1C1X HFA 0.01584 0.42088 1.97183
49 3G89 SAM 0.0003939 0.49652 2.00803
50 2P4Q FLC 0.04068 0.41707 2.01207
51 3TKA SAM 0.01637 0.40096 2.01729
52 3H9E NAD 0.0001612 0.47043 2.02312
53 4JJF FE9 0.003678 0.41236 2.03488
54 4JJF N2I 0.005056 0.40191 2.03488
55 4TXI FAD 0.00000001646 0.60361 2.04082
56 4MOP 2H5 0.0000003228 0.46644 2.04082
57 4XFR CIT 0.01909 0.42813 2.04082
58 1Z45 NAD 0.002014 0.41744 2.04082
59 1K3T BRZ 0.002497 0.40649 2.04082
60 3OND ADN 0.0004577 0.43433 2.04918
61 3D3W NAP 0.003073 0.40315 2.04918
62 1PR9 NAP 0.003303 0.40199 2.04918
63 2AOT SAH 0.002649 0.45142 2.05479
64 3V1Y NAD 0.0001233 0.47517 2.07715
65 3HIY UTP 0.02577 0.40671 2.08333
66 2RGH FAD 0.000003613 0.48166 2.10158
67 1J49 NAD 0.0003858 0.44842 2.1021
68 1ZQ9 SAM 0.0001144 0.50678 2.10526
69 1RP0 AHZ 0.00000009818 0.57446 2.11268
70 2VYN NAD 0.0001476 0.46488 2.1148
71 1GAD NAD 0.0008162 0.44171 2.12121
72 1CDO NAD 0.003675 0.41504 2.13904
73 1F8F NAD 0.006499 0.40752 2.15633
74 1GQ2 NAP 0.0009159 0.43361 2.16216
75 5MPT SAH 0.01945 0.40324 2.17391
76 1X87 NAD 0.0001968 0.4783 2.17786
77 2C7G ODP 0.0000002755 0.45959 2.19298
78 2C7G FAD 0.0000002969 0.45518 2.19298
79 5BVA FAD 0.000000001193 0.56778 2.20049
80 3S1S SAH 0.006694 0.41245 2.21088
81 5X62 SAH 0.00753 0.42587 2.21675
82 5THY SAH 0.005743 0.42135 2.22222
83 1SC6 NAD 0.0006148 0.43176 2.22772
84 4RPL FAD 0.000001767 0.53727 2.25564
85 4RPL 3UC 0.000002709 0.5331 2.25564
86 4CP8 MLI 0.01101 0.44284 2.25873
87 3ROE THM 0.02292 0.41639 2.26415
88 3VYW SAM 0.0006484 0.46362 2.27273
89 5HTX ADP 0.04419 0.40144 2.2779
90 1YKJ PHB 0.0000002507 0.43904 2.28426
91 1YKJ FAD 0.0000002507 0.43904 2.28426
92 1X7D NAD 0.001201 0.42896 2.28571
93 1MAI I3P 0.01015 0.43627 2.29008
94 5M67 ADE 0.0005746 0.43171 2.29645
95 5M67 NAD 0.0005841 0.43145 2.29645
96 5M67 3D1 0.0006098 0.43077 2.29645
97 3LST SAH 0.02711 0.40561 2.29885
98 4CNK FAD 0.000000002351 0.59979 2.30179
99 3BGD SAH 0.01187 0.40171 2.30769
100 1LLU NAD 0.00176 0.40973 2.33918
101 4JUI EGR 0.03604 0.41511 2.34043
102 3FPF TNA 0.0006191 0.41142 2.34899
103 3FPF MTA 0.0006191 0.41142 2.34899
104 1ZH8 NAP 0.003411 0.41367 2.35294
105 1KNR FAD 0.00000001095 0.56382 2.40741
106 2BRY FAD 0.00000002662 0.59053 2.41449
107 3GWZ SAH 0.01296 0.41803 2.43902
108 3GXO SAH 0.0294 0.40385 2.43902
109 1D4D FAD 0.000000006368 0.55229 2.44755
110 1GR0 NAD 0.003183 0.40035 2.45232
111 2JB2 FAD 0.0000004494 0.51637 2.45399
112 2JB2 PHE 0.0000005028 0.5092 2.45399
113 3ABI NAD 0.001328 0.42447 2.46575
114 3BXO SAM 0.02553 0.40692 2.51046
115 1EBF NAD 0.0008203 0.44819 2.51397
116 2HK9 ATR 0.0001255 0.53331 2.54545
117 2HK9 NAP 0.001087 0.43663 2.54545
118 3AYI FAD 0.00000005703 0.4883 2.55102
119 3AYI HCI 0.00000006196 0.48337 2.55102
120 4C4A SAH 0.0003154 0.48187 2.55102
121 1ZN7 PRP 0.01907 0.40364 2.55102
122 5HJM MTA 0.009377 0.41485 2.55682
123 3WE0 FAD 0.0000008335 0.48772 2.58621
124 3CL7 HYN 0.01415 0.43812 2.5974
125 3WBF NAP 0.0006609 0.4392 2.62295
126 3WBF API 0.001698 0.4127 2.62295
127 1VQW FAD 0.000000109 0.56787 2.62582
128 3QJ4 FAD 0.0000001654 0.53706 2.63158
129 1VE3 SAM 0.01344 0.41074 2.64317
130 3G2O SAM 0.002113 0.44808 2.67559
131 2YX1 SFG 0.00067 0.48514 2.67857
132 2GVC FAD 0.0000001308 0.56494 2.68456
133 2GV8 FAD 0.0000001725 0.55586 2.68456
134 2GV8 NDP 0.0003327 0.46473 2.68456
135 3DUW SAH 0.0006711 0.46697 2.69058
136 1UWK NAD 0.000828 0.42307 2.693
137 5TUK FAD 0.0000004127 0.57073 2.69608
138 3LZW FAD 0.000000003078 0.59588 2.71084
139 3LZW NAP 0.00000001785 0.47673 2.71084
140 3HVJ 705 0.0006872 0.41722 2.71493
141 5G3U FDA 0.0000004964 0.52838 2.72109
142 5G3U ITW 0.000004941 0.50178 2.72109
143 1GTE FAD 0.0000001051 0.45342 2.72109
144 1I0Z NAI 0.0006816 0.43571 2.72109
145 1BXK NAD 0.001302 0.42759 2.72109
146 4U8P FDA 0.000002139 0.40773 2.72904
147 4U8P UDP 0.000002388 0.40199 2.72904
148 3H8V ATP 0.00008387 0.51302 2.73973
149 4AT0 FAD 0.000004293 0.4486 2.7451
150 3B1F NAD 0.00008849 0.4976 2.75862
151 3VSE SAH 0.0003778 0.50285 2.76382
152 4USR FAD 0.0000004174 0.51265 2.77008
153 4KRG SAH 0.01654 0.40962 2.7897
154 2ZFU SAH 0.01681 0.40327 2.7907
155 1YS4 NAP 0.004736 0.42194 2.82486
156 1ELI PYC 0.00000868 0.47828 2.82776
157 3C8F MT2 0.03519 0.40854 2.85714
158 5DX8 SFG 0.008276 0.40848 2.86533
159 5DXA SFG 0.008736 0.40746 2.86533
160 2YG3 FAD 0.00000005816 0.53987 2.86976
161 4EUE NAI 0.0004463 0.43698 2.87081
162 4IV9 FAD 0.0000001608 0.52587 2.87253
163 3ZNN FAD 0.00000181 0.53069 2.88184
164 3WGT FAD 0.000001612 0.46355 2.88184
165 3WGT QSC 0.000001745 0.45874 2.88184
166 3ZNN 4WL 0.00000181 0.43306 2.88184
167 5E8J SAH 0.002411 0.4577 2.88462
168 3NYC IAR 0.0000004259 0.46719 2.88714
169 3NYC FAD 0.0000004259 0.46719 2.88714
170 1NAA 6FA 0.0000001691 0.50895 2.89116
171 1NAA ABL 0.0000003543 0.46104 2.89116
172 2PX8 SAH 0.01554 0.40482 2.89116
173 2Q0L FAD 0.000000003159 0.57541 2.89389
174 2Q0L NAP 0.00078 0.47706 2.89389
175 1VJT NAD 0.003034 0.43718 2.89855
176 1RSG FAD 0.00000002272 0.54143 2.90698
177 1UXG NAD 0.0002918 0.42608 2.91262
178 1YY5 FAD 0.000000006833 0.54629 2.92398
179 3FUU ADN 0.0001565 0.4957 2.95203
180 2O07 MTA 0.000362 0.45275 2.96053
181 2O07 SPD 0.0005442 0.43951 2.96053
182 1N4W FAD 0.0000006882 0.48946 2.97619
183 5JE8 NAD 0.0003745 0.45897 2.98013
184 2QA1 FAD 0.0000000009835 0.63192 3
185 1DXY NAD 0.0002026 0.46638 3.003
186 4KOA NDP 0.001539 0.45853 3.003
187 2BZG SAH 0.0134 0.4108 3.01724
188 2PV7 NAD 0.0005541 0.44534 3.02013
189 1GY8 NAD 0.001174 0.42383 3.02267
190 1DJN ADP 0.00000001682 0.65306 3.06122
191 2AQJ TRP 0.0000007199 0.44022 3.06122
192 1QAN SAH 0.002091 0.4375 3.06122
193 2AQJ FAD 0.0000007226 0.43721 3.06122
194 3EVG SAH 0.004422 0.4332 3.06122
195 1U7T NAD 0.001934 0.42356 3.06513
196 1ZGA SAH 0.007266 0.43402 3.08123
197 1R18 SAH 0.008235 0.4114 3.0837
198 1L3I SAH 0.0027 0.42051 3.125
199 3MB5 SAM 0.0004919 0.46121 3.13725
200 3L9W AMP 0.0002275 0.45105 3.1477
201 3L9W GSH 0.0004074 0.44749 3.1477
202 2NXE SAM 0.003096 0.44039 3.14961
203 2DFV NAD 0.001905 0.42383 3.17003
204 3KU0 ADE 0.02617 0.42639 3.18725
205 4HXY NDP 0.0008968 0.4283 3.19635
206 3MJE NDP 0.005528 0.40279 3.22581
207 1FP1 SAH 0.02764 0.402 3.22581
208 3NKS FAD 0.0000003353 0.53266 3.23129
209 2R4J 13P 0.000002121 0.52366 3.23129
210 1HYH NAD 0.0001104 0.46304 3.23129
211 2R4J FAD 0.000002121 0.44343 3.23129
212 1X14 NAD 0.00008613 0.51773 3.2419
213 3QVP FAD 0.0000003164 0.5013 3.25901
214 4MO2 FDA 0.000001001 0.51611 3.26087
215 4MO2 FAD 0.0000009446 0.5114 3.26087
216 1CF2 NAP 0.00007565 0.48382 3.2641
217 3L4S NAD 0.001387 0.41847 3.27381
218 3L4S 3PG 0.001664 0.41302 3.27381
219 3HDY FAD 0.000002461 0.41951 3.27456
220 3HDY FDA 0.000003045 0.41789 3.27456
221 3HDY GDU 0.000003234 0.41466 3.27456
222 4NTC FAD 0.0000000007147 0.59574 3.28358
223 2EFX NFA 0.04667 0.40018 3.30579
224 1W8D NAP 0.001873 0.43305 3.31126
225 1W73 NAP 0.002596 0.42706 3.31126
226 1W6U NAP 0.004618 0.41649 3.31126
227 4D04 NAP 0.000006216 0.4028 3.32103
228 4D04 FAD 0.000006216 0.4028 3.32103
229 4YNU LGC 0.00000031 0.55041 3.3275
230 4YNU FAD 0.0000002311 0.54943 3.3275
231 1JNR FAD 0.00000001451 0.44102 3.33333
232 1V8B NAD 0.0004633 0.42568 3.34029
233 4FZV SAM 0.00416 0.4276 3.34728
234 1O0S NAI 0.001184 0.44482 3.40136
235 3LCC SAH 0.003887 0.43949 3.40426
236 1OMO NAD 0.0002386 0.47082 3.41615
237 5EVY FAD 0.00002947 0.51373 3.42466
238 4REP FAD 0.0000001672 0.54661 3.43434
239 4CJX NAP 0.001127 0.43912 3.44828
240 3NJ4 NAD 0.003258 0.43593 3.44828
241 3NJ4 AFX 0.008515 0.41893 3.44828
242 4CMI NAP 0.005243 0.4037 3.47222
243 4CM8 NAP 0.005601 0.40256 3.47222
244 3BMQ NAP 0.005188 0.40148 3.47222
245 3BMO NAP 0.006131 0.40101 3.47222
246 3JQF NAP 0.005409 0.40077 3.47222
247 1SQF SAM 0.004454 0.43305 3.4965
248 4M37 SAH 0.0002916 0.48341 3.49854
249 5EWK P34 0.01845 0.43152 3.5
250 4N49 SAM 0.007634 0.41582 3.50467
251 4OPC FDA 0.0000001086 0.60741 3.53201
252 2UYQ SAM 0.01821 0.4298 3.54839
253 4XDY NAI 0.002522 0.42172 3.5503
254 1J5P NAD 0.001546 0.42747 3.55731
255 4ISS TAR 0.04347 0.40522 3.57143
256 1ZDQ MSM 0.04052 0.40146 3.57143
257 2IZ1 ATR 0.0002402 0.53907 3.5865
258 5H81 NAP 0.001891 0.43941 3.59897
259 3NUG NAD 0.002345 0.41234 3.64372
260 4DSU BZI 0.02887 0.42045 3.7037
261 2C04 GCP 0.01479 0.41194 3.7037
262 2FR1 NDP 0.002759 0.40723 3.7037
263 2Q1S NAI 0.0005541 0.40003 3.71353
264 5TS5 FAD 0.0000001182 0.52509 3.71901
265 2WD7 NAP 0.006007 0.40136 3.73134
266 1GPE FAD 0.0000002491 0.49548 3.7415
267 5JJR SAH 0.00378 0.43636 3.7415
268 2JHF NAD 0.02246 0.40574 3.74332
269 1D1T NAD 0.001026 0.4234 3.75335
270 1GZ6 NAI 0.004822 0.40037 3.76176
271 2JJQ SAH 0.002625 0.45587 3.76471
272 4BJZ P3A 0.0000001754 0.42358 3.77358
273 3C3Y SAH 0.005167 0.42665 3.79747
274 2IID PHE 0.0000003588 0.45837 3.81526
275 2IID FAD 0.0000003588 0.45837 3.81526
276 5EZ7 FAD 0.000002253 0.5069 3.82653
277 4ZCC NAI 0.0000003696 0.46971 3.86905
278 4ZCC FAD 0.0000003696 0.46971 3.86905
279 1REO FAD 0.0000001481 0.53286 3.90947
280 1PN0 IPH 0.00000001796 0.59534 3.91156
281 1PN0 FAD 0.00000001633 0.59534 3.91156
282 4XZ3 COA 0.004404 0.42028 3.91304
283 1CER NAD 0.0001693 0.46955 3.92749
284 1I9G SAM 0.0001209 0.49613 3.92857
285 1PL6 NAD 0.0006296 0.46419 3.93258
286 2F1K NAP 0.0001065 0.47777 3.94265
287 3OJO NAD 0.00002254 0.51873 3.94432
288 5FJN BE2 0.00000008521 0.56646 3.94737
289 5FJN FAD 0.00000007561 0.56369 3.94737
290 4C3Y FAD 0.000001424 0.49056 3.96226
291 4C3Y ANB 0.000004191 0.45476 3.96226
292 3LL5 IP8 0.04942 0.40697 4.01606
293 1R37 NAD 0.001687 0.41041 4.03458
294 3ULK NDP 0.007115 0.41419 4.07332
295 3PT9 SAH 0.002403 0.44549 4.08163
296 3O7W SAM 0.0199 0.41231 4.08163
297 2XYQ SAH 0.006663 0.42493 4.09836
298 5N53 8NB 0.004325 0.46641 4.10256
299 3WV8 ATP 0.000004034 0.42772 4.12844
300 4XUC SAM 0.00103 0.40234 4.12844
301 4XUC 43G 0.00103 0.40234 4.12844
302 3GGO ENO 0.0009134 0.41849 4.14013
303 1COY FAD 0.0000008711 0.49692 4.14201
304 1COY AND 0.000006495 0.42009 4.14201
305 1I36 NAP 0.01242 0.40356 4.16667
306 1LUA NAP 0.01069 0.40928 4.18118
307 2HNK SAH 0.003437 0.43131 4.1841
308 1GV0 NAD 0.0002505 0.45258 4.19355
309 4ONQ SFG 0.009216 0.41838 4.20168
310 2QES ADE 0.03078 0.42194 4.21456
311 2RGJ FAD 0.000000005402 0.61616 4.22886
312 1I8T FAD 0.000001104 0.5038 4.2517
313 1OBB NAD 0.001559 0.43642 4.2517
314 3SSO SAH 0.0003912 0.4734 4.29594
315 1D4O NAP 0.006919 0.40381 4.34783
316 1O94 ADP 0.000000004961 0.6684 4.375
317 3LU1 NAD 0.001778 0.41694 4.3956
318 1EZ4 NAD 0.0004027 0.45422 4.40252
319 3GRU AMP 0.0002606 0.47306 4.40678
320 1O5I NAD 0.006034 0.42358 4.41767
321 3GDN FAD 0.000001525 0.48492 4.42177
322 3GDN HBX 0.000002755 0.446 4.42177
323 4QTU SAM 0.001545 0.45051 4.44444
324 4GKV NAD 0.001867 0.4088 4.46429
325 5CAE COA 0.002384 0.42863 4.47284
326 2YY8 MTA 0.03626 0.40252 4.47761
327 4ZRN NAD 0.00266 0.40319 4.48718
328 1IM8 SAI 0.002959 0.43421 4.5082
329 1EQ2 NAP 0.003091 0.41022 4.51613
330 5T46 MGP 0.04739 0.40904 4.54545
331 3GDH SAH 0.001221 0.44089 4.56432
332 1SOW NAD 0.0004788 0.43584 4.57317
333 1ZEM NAD 0.001235 0.43437 4.58015
334 5EB4 FAD 0.000001141 0.51882 4.59184
335 1QO8 FAD 0.000000001533 0.57749 4.59364
336 3GCZ SAM 0.006934 0.42412 4.60993
337 3K7M FAD 0.00000007737 0.47697 4.64037
338 1GEG NAD 0.002326 0.41502 4.6875
339 4USQ FAD 0.0000003231 0.54592 4.70914
340 3OZ2 FAD 0.0000000008995 0.59907 4.7619
341 2GMH FAD 0.000000004789 0.5682 4.7619
342 2Q1W NAD 0.0006098 0.43189 4.8048
343 4A6D SAM 0.01785 0.40206 4.81586
344 3GF4 FAD 0.000003138 0.43452 4.87179
345 3GF4 UPG 0.000002407 0.42778 4.87179
346 2VDV SAM 0.001444 0.46868 4.87805
347 5TUF FAD 0.00000005544 0.58379 4.88998
348 5TUF TDC 0.0000003774 0.44213 4.88998
349 2EV9 SKM 0.001383 0.41852 4.94297
350 2EV9 NAP 0.001383 0.41852 4.94297
351 4RSL FAD 0.000007599 0.48883 4.94382
352 2G5C NAD 0.0004315 0.44342 4.98221
353 1N2X SAM 0.007093 0.41137 4.98339
354 1E6W NAD 0.00284 0.41165 5
355 1A5Z NAD 0.00007369 0.50108 5.01567
356 4JK3 NAD 0.0002526 0.46248 5.01931
357 4J4H NAI 0.01879 0.41383 5.01931
358 4J4H 1J1 0.002753 0.40521 5.01931
359 2DC1 NAD 0.003801 0.41179 5.08475
360 1DSS NAD 0.00002849 0.50536 5.1051
361 1NVM NAD 0.001345 0.42157 5.12821
362 3QOX SAH 0.00714 0.41124 5.16432
363 2CFC NAD 0.004515 0.40626 5.2
364 2DT5 NAD 0.0001357 0.46631 5.21327
365 1E1M FAD 0.00000002322 0.59691 5.21739
366 1E1M NAP 0.00000002322 0.49132 5.21739
367 5ULP KB1 0.00199 0.43194 5.22388
368 1TPY SAH 0.01093 0.40599 5.22648
369 1EJ4 M7G 0.02046 0.43231 5.26316
370 1EJH M7G 0.023 0.43043 5.26316
371 4TQG NDP 0.004762 0.40535 5.26316
372 1UZN NAP 0.02729 0.40227 5.26316
373 1NW5 SAM 0.008166 0.41759 5.32915
374 5BUK FAD 0.00000000144 0.62845 5.33333
375 4DCM SAM 0.006123 0.43382 5.33333
376 3EGI ADP 0.00124 0.49336 5.33981
377 4DMG SAM 0.003077 0.4569 5.34351
378 3RKR NAP 0.016 0.42451 5.34351
379 1LDN NAD 0.0002744 0.44794 5.37975
380 2XWL CTP 0.0256 0.40056 5.38117
381 1J0X NAD 0.0003942 0.43257 5.42169
382 2IVD FAD 0.00000009994 0.55536 5.43933
383 2FK8 SAM 0.006427 0.41916 5.44218
384 2EFJ SAH 0.02249 0.40326 5.46875
385 1XTP SAI 0.006672 0.4249 5.51181
386 3JWH SAH 0.005719 0.4433 5.52995
387 4RDH AMP 0.00004906 0.53505 5.55556
388 1KPG SAH 0.009624 0.40842 5.57491
389 1KPH SAH 0.01067 0.40645 5.57491
390 3A2Y TS5 0.02457 0.40142 5.58376
391 1YJQ NAP 0.0007823 0.42516 5.61056
392 1RJD SAM 0.01877 0.40396 5.61225
393 1LTH NAD 0.00008131 0.49056 5.64263
394 4TM3 FAD 0.0000008728 0.41318 5.64334
395 1VI2 NAD 0.001463 0.44429 5.66667
396 1DL5 SAH 0.004543 0.41128 5.67823
397 1QCI ADE 0.01783 0.43045 5.72519
398 1E3W NAD 0.001302 0.42481 5.74713
399 3IHG FAD 0.000000005706 0.63887 5.78231
400 4DSG FAD 0.000002488 0.41967 5.78512
401 4DSG UDP 0.000002488 0.41967 5.78512
402 4D79 ATP 0.00008337 0.51314 5.7971
403 2WA2 SAM 0.022 0.40371 5.7971
404 3VPH NAD 0.0004704 0.43334 5.80645
405 3VPH OXM 0.0006174 0.42376 5.80645
406 1ZBQ NAD 0.001056 0.42292 5.8104
407 4R6W SAH 0.002941 0.40619 5.81395
408 4YSX FAD 0.00000002513 0.57731 5.85106
409 1WDK NAD 0.00006263 0.49966 5.89744
410 1NPD NAD 0.00235 0.42889 5.90278
411 3H2B SAH 0.002426 0.44159 5.91133
412 2EG5 SAH 0.0113 0.42452 5.91398
413 1F3L SAH 0.006517 0.41586 5.919
414 2VHW NAI 0.0001273 0.44553 5.95238
415 2FWP ICR 0.005793 0.43889 6.01093
416 2FWP CIT 0.009141 0.43714 6.01093
417 1Y8Q ATP 0.000007333 0.53465 6.06936
418 2YY7 NAD 0.004351 0.40208 6.08974
419 2RGO FAD 0.000002583 0.50175 6.09555
420 4HA6 FAD 0.00000004684 0.52635 6.10236
421 2CVQ NDP 0.004661 0.40572 6.11621
422 2YYY NAP 0.0007247 0.43762 6.12245
423 3WLE NAD 0.001069 0.41283 6.15836
424 2FKA BEF 0.003777 0.45092 6.20155
425 3LKZ SFG 0.002974 0.43757 6.23053
426 2IXB NAD 0.00286 0.40905 6.30631
427 3DXY SAM 0.0008583 0.48488 6.42202
428 4J36 FAD 0.00000001369 0.60122 6.50602
429 4J36 1HR 0.0000001025 0.51492 6.50602
430 2A92 NAI 0.0007352 0.42884 6.54206
431 1KYQ NAD 0.000003745 0.58211 6.56934
432 1PS9 FAD 0.0000000006559 0.59702 6.63265
433 1PS9 NAP 0.00007134 0.48486 6.63265
434 1LDM NAD 0.0004972 0.44103 6.68693
435 2GDZ NAD 0.001742 0.4199 6.74157
436 4NEC SAH 0.02904 0.40094 6.81818
437 3C6K SPD 0.001301 0.40981 6.82415
438 3C6K MTA 0.001301 0.40503 6.82415
439 2VVM FAD 0.00000007052 0.53776 6.86869
440 2VVL FAD 0.0000001016 0.52705 6.86869
441 1WP4 NDP 0.003921 0.41124 6.92042
442 2CVZ NDP 0.004646 0.41088 6.92042
443 2PWY SAH 0.0006582 0.45578 6.97674
444 1P77 ATR 0.0007153 0.50631 6.98529
445 1E6E FAD 0.000000009246 0.59193 7.03125
446 5BR7 FAD 0.000002348 0.4209 7.12468
447 5BR7 FLC 0.000002856 0.41838 7.12468
448 3S5W FAD 0.00000004058 0.59418 7.12743
449 3S5W NAP 0.0001314 0.5144 7.12743
450 4KRI SAH 0.003663 0.43007 7.15935
451 1O6Z NAD 0.0006595 0.45219 7.26073
452 1DRV A3D 0.01465 0.40039 7.32601
453 5I39 FAD 0.000000309 0.52778 7.35294
454 1NYT NAP 0.005645 0.41006 7.38007
455 1NJR XYL 0.006071 0.40362 7.39437
456 3OFK SAH 0.0006931 0.45849 7.40741
457 2PT9 S4M 0.0002244 0.46819 7.47664
458 2PT9 2MH 0.0009895 0.41886 7.47664
459 3JV7 NAD 0.0007833 0.43337 7.53623
460 2P41 SAH 0.004734 0.43182 7.54098
461 1G55 SAH 0.01193 0.41009 7.58017
462 3NGL NAP 0.007253 0.41681 7.6087
463 2D2I NAP 0.0005727 0.45478 7.63158
464 5GZ6 NDP 0.00377 0.42951 7.66871
465 5GZ6 7C3 0.006035 0.41439 7.66871
466 3B20 NAD 0.0004289 0.46008 7.66962
467 3B1J NAD 0.000389 0.44516 7.66962
468 3QV1 NAD 0.000224 0.40097 7.71513
469 3A27 SAM 0.0001341 0.50357 7.72059
470 2XVF FAD 0.000001528 0.50969 7.75862
471 2XVE FAD 0.00000749 0.406 7.75862
472 1Q9I TEO 0.00000002838 0.59762 7.82313
473 1Q9I FAD 0.00000002838 0.47746 7.82313
474 4YCA NDP 0.0002875 0.46018 7.82313
475 2WJG GDP 0.04502 0.40101 7.97872
476 1JQ3 AAT 0.0004352 0.43459 7.9932
477 1MV8 NAD 0.0001006 0.47877 8.02752
478 1HDG NAD 0.000463 0.45515 8.13253
479 9LDB NAD 0.000187 0.4543 8.16327
480 9LDT NAD 0.0002045 0.45282 8.16327
481 3AD8 NAD 0.0000000006973 0.64309 8.16832
482 3AD8 PYC 0.000003421 0.40421 8.16832
483 3AD8 FAD 0.000003421 0.40421 8.16832
484 5MBX FAD 0.0000002899 0.55782 8.2495
485 5MBX SP5 0.0000002899 0.55782 8.2495
486 1MUU NAD 0.0001134 0.48048 8.25688
487 3TLJ SAH 0.003811 0.42298 8.31099
488 2VT3 ATP 0.00005835 0.54375 8.37209
489 3P2E SAH 0.01493 0.40276 8.44444
490 2E5V FAD 0.0000000191 0.5376 8.47458
491 2I7C AAT 0.0009271 0.42243 8.48057
492 5MZI FAD 0.00000001085 0.47893 8.67679
493 5MZI FYK 0.00000001172 0.4744 8.67679
494 1XA4 COA 0.00653 0.41291 8.69565
495 1Q0S SAH 0.005018 0.41496 8.88031
496 1RYI FAD 0.0000005589 0.50309 8.90052
497 5LD5 NAD 0.0008345 0.45135 8.93855
498 1JAY NAP 0.01109 0.40571 8.96226
499 4AZT SAM 0.01199 0.41306 8.96309
500 2X6T NAP 0.004052 0.40565 8.96359
501 2HMT NAI 0.00001625 0.5298 9.02778
502 1KYZ SAH 0.01407 0.40981 9.0411
503 4JNA FAD 0.00000000133 0.57981 9.11765
504 1HKU NAD 0.001053 0.42564 9.21788
505 2NVK FAD 0.000000001446 0.58611 9.22131
506 2NVK NAP 0.00008834 0.55553 9.22131
507 3A25 SAM 0.0003352 0.48514 9.30233
508 3U31 NAD 0.004464 0.42307 9.31034
509 3GU3 SAH 0.004458 0.45328 9.50704
510 3Q87 SAM 0.009772 0.40536 9.6
511 4II2 ATP 0.00001338 0.53874 9.63855
512 3GFB NAD 0.003075 0.41548 9.71429
513 2NU8 COA 0.003008 0.4186 9.72222
514 1JG3 ADN 0.0001168 0.50635 9.78723
515 1XCL SAH 0.001962 0.4128 9.78723
516 2DPM SAM 0.008731 0.41028 9.85915
517 1GUZ NAD 0.0002994 0.45277 10
518 3EGV SAH 0.002095 0.4522 10.2041
519 1L1E SAH 0.008122 0.41462 10.453
520 1EJ0 SAM 0.0007146 0.46991 10.5556
521 1LSS NAD 0.000003726 0.56349 10.7143
522 5ODQ FAD 0.00000002154 0.54282 10.7143
523 3SJ7 NDP 0.002333 0.41759 10.7143
524 1SAY PYR 0.0009075 0.42023 10.8033
525 3HGM ATP 0.01716 0.40005 10.8844
526 5O4J SAH 0.0003936 0.41649 10.9489
527 5O4J 9KH 0.0003936 0.41649 10.9489
528 5O4J PJL 0.0008219 0.40375 10.9489
529 1TDF FAD 0.00000002081 0.59002 11.0759
530 1TDF NAP 0.0000001351 0.58555 11.0759
531 3BAZ NAP 0.007014 0.40614 11.1111
532 3FPZ AHZ 0.002626 0.45476 11.3497
533 2OOR NAD 0.003448 0.42799 11.4943
534 4AP3 FAD 0.000002836 0.41665 11.6576
535 4AP3 NAP 0.000002836 0.41665 11.6576
536 4OBW SAM 0.004316 0.43369 11.6732
537 3G5S FAD 0.00000002297 0.57324 11.7381
538 1P1C SAH 0.0001206 0.48743 12.0603
539 4YMH SAH 0.0009217 0.45681 12.0833
540 4RQU NAD 0.0007279 0.43755 12.2667
541 4CQM NAP 0.002673 0.41267 13.0268
542 2XVM SAH 0.005498 0.44001 13.0653
543 3A4T SFG 0.0003145 0.4735 13.5036
544 2JBH 5GP 0.007799 0.44521 13.7778
545 5HSA FAS 0.0000001036 0.527 14.6259
546 1VM6 NAD 0.008555 0.40255 15.3509
547 5BXV MGP 0.02797 0.41226 15.9091
548 1NV8 SAM 0.007302 0.40039 17.2535
549 2Y6Q FAD 0.00000001391 0.60637 17.3367
550 2Y6Q I7T 0.0000001209 0.49785 17.3367
551 2O4C NAD 0.001223 0.42315 17.3684
552 2V6O FAD 0.000000005408 0.45132 17.6174
553 2HQM FAD 0.0000000002146 0.60563 18.3716
554 4UP3 FAD 0.00000001154 0.58924 18.7898
555 4J56 FAD 0.0000000009836 0.57351 19.0388
556 1LVL NAD 0.0000003057 0.61188 19.4323
557 1LVL FAD 0.0000000009759 0.57698 19.4323
558 4G74 FAD 0.00000000005104 0.67181 19.9203
559 4G74 UQ5 0.0000000002207 0.57461 19.9203
560 1VDC FAD 0.0000001724 0.49003 20.4204
561 2PXX SAH 0.003498 0.43437 21.3953
562 5JCA FAD 0.000000005112 0.60531 21.519
563 5JCA NDP 0.00000002572 0.60414 21.519
564 2Q46 NAP 0.00481 0.40518 21.7391
565 3RNM FAD 0.0000000001311 0.60444 22.2222
566 1FL2 FAD 0.00000001624 0.56535 22.5806
567 4EMI FAD 0.0000000000009647 0.71541 23.1707
568 4EMJ FAD 0.00000000000307 0.68911 23.1707
569 4EMI NAD 0.00000000001095 0.5465 23.1707
570 2F5Z FAD 0.00000000008164 0.61049 23.2068
571 1ZMD FAD 0.00000000008835 0.60946 23.2068
572 1ZMD NAI 0.0000005213 0.57742 23.2068
573 5JWC FAD 0.00000000003683 0.68314 23.4165
574 1V59 NAD 0.00000002177 0.71659 24.0586
575 1V59 FAD 0.0000000001398 0.59034 24.0586
576 3F8D FAD 0.0000003325 0.41691 24.1486
577 1FEC FAD 0.0000000005294 0.56903 24.2857
578 2A8X FAD 0.0000000003549 0.59155 25.2155
579 2YVJ FAD 0.00000000000935 0.69142 25.2451
580 2YVJ NAI 0.0000007479 0.60798 25.2451
581 2YVF FAD 0.00000000005158 0.53139 25.2451
582 2YVF NAD 0.00000000005642 0.52604 25.2451
583 4M52 FAD 0.0000000002721 0.60154 25.7511
584 5JCM ISD 0.00000000004323 0.7124 26.1641
585 5JCM NAD 0.00000000004323 0.7124 26.1641
586 5JCM FAD 0.00000000003969 0.7124 26.1641
587 1Q1R FAD 0.000000000002149 0.71367 26.2181
588 3FG2 FAD 0.00000000001974 0.70636 26.7327
589 3ITJ FAD 0.00000008792 0.4953 26.9231
590 3ITJ CIT 0.007458 0.43525 26.9231
591 1MO9 FAD 0.00000000223 0.44569 26.9598
592 1MO9 KPC 0.000000002048 0.4441 26.9598
593 5U8U FAD 0.0000000002679 0.68249 27.027
594 1GET FAD 0.0000000008262 0.48617 27.7778
595 1GET NAP 0.0000000009589 0.47792 27.7778
596 3QFA FAD 0.0000000003172 0.60067 27.9383
597 3LAD FAD 0.0000000005159 0.59385 27.9412
598 3AB1 FAD 0.000000001635 0.59005 28.3333
599 1BZL FAD 0.00000001105 0.4042 28.3951
600 1ZK7 FAD 0.0000000003077 0.58116 28.9079
601 4JDR FAD 0.00000000008305 0.62492 29.1139
602 3KLJ FAD 0.000000000002535 0.73935 29.3506
603 5KMS FAD 0.00000000003317 0.67843 29.3827
604 5KMS NAD 0.00000000126 0.50853 29.3827
605 2WPF FAD 0.00000000421 0.41309 29.4949
606 2WPF WPF 0.00000000448 0.40706 29.4949
607 2Q7V FAD 0.0000000002242 0.61104 32.3077
608 2CDU FAD 0.0000000000001049 0.76686 46.2389
609 2CDU ADP 0.0000003686 0.62971 46.2389
610 2NPX FAD 0.000000000001315 0.72111 49.217
611 2NPX NAD 0.00000000001243 0.55658 49.217
612 5FA5 MTA 0.0005939 0.48278 50
613 4GQB 0XU 0.001287 0.43994 50
Pocket No.: 2; Query (leader) PDB : 3ICR; 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: 3icr.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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