Receptor
PDB id Resolution Class Description Source Keywords
1VLB 1.28 Å EC: 1.2.3.1 STRUCTURE REFINEMENT OF THE ALDEHYDE OXIDOREDUCTASE FROM DESULFOVIBRIO GIGAS AT 1.28 A DESULFOVIBRIO GIGAS ALDEHYDE OXIDOREDUCTASE; DESULFOVIBRIO GIGAS; IRON-SULPHUR CLUSTER
Ref.: STRUCTURE REFINEMENT OF THE ALDEHYDE OXIDOREDUCTASE FROM DESULFOVIBRIO GIGAS (MOP) AT 1.28 A J.BIOL.INORG.CHEM. V. 6 791 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:916;
A:918;
A:920;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
FES A:908;
A:909;
Part of Protein;
Part of Protein;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
IPA A:914;
A:915;
Invalid;
Invalid;
none;
none;
submit data
60.095 C3 H8 O CC(C)...
MG A:917;
A:919;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
PCD A:921;
Valid;
none;
submit data
844.471 C19 H26 Mo N8 O16 P2 S2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FC4 1.79 Å EC: 1.2.3.1 ETHYLENE GLYCOL INHIBITED FORM OF ALDEHYDE OXIDOREDUCTASE FROM DESULFOVIBRIO GIGAS DESULFOVIBRIO GIGAS MO-ETHYLENE GLYCOL ADDUCT 2FE-2S FAD FLAVOPROTEIN IRON IRON-SULFUR METAL-BINDING MOLYBDENUM NAD OXIDOREDUCTASE
Ref.: KINETIC, STRUCTURAL, AND EPR STUDIES REVEAL THAT ALDEHYDE OXIDOREDUCTASE FROM DESULFOVIBRIO GIGAS DOES NOT NEED A SULFIDO LIGAND FOR CATALYSIS AND GIVE EVIDENCE FOR A DIRECT MO-C INTERACTION IN A BIOLOGICAL SYSTEM. J.AM.CHEM.SOC. V. 13
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1SIJ - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
2 4C7Y - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
3 4US9 - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
4 4USA - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
5 3FAH Ki = 26.8 mM GOL C3 H8 O3 C(C(CO)O)O
6 4US8 - HBX C7 H6 O c1ccc(cc1)....
7 4C7Z - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
8 4C80 - PCD PEO n/a n/a
9 1VLB - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
10 3L4P - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
11 3FC4 Ki = 1.9 mM EDO C2 H6 O2 C(CO)O
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1SIJ - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
2 4C7Y - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
3 4US9 - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
4 4USA - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
5 3FAH Ki = 26.8 mM GOL C3 H8 O3 C(C(CO)O)O
6 4US8 - HBX C7 H6 O c1ccc(cc1)....
7 4C7Z - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
8 4C80 - PCD PEO n/a n/a
9 1VLB - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
10 3L4P - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
11 3FC4 Ki = 1.9 mM EDO C2 H6 O2 C(CO)O
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1SIJ - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
2 4C7Y - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
3 4US9 - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
4 4USA - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
5 3FAH Ki = 26.8 mM GOL C3 H8 O3 C(C(CO)O)O
6 4US8 - HBX C7 H6 O c1ccc(cc1)....
7 4C7Z - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
8 4C80 - PCD PEO n/a n/a
9 1VLB - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
10 3L4P - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
11 3FC4 Ki = 1.9 mM EDO C2 H6 O2 C(CO)O
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PCD; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 PCD 1 1
2 CDP 0.517857 0.781609
3 CTP 0.517544 0.781609
4 C2G 0.512605 0.772727
5 MCN 0.496403 0.909091
6 C5G 0.488 0.784091
7 CDM 0.48 0.731183
8 7XL 0.475 0.764045
9 CXY 0.472441 0.784091
10 C 0.464286 0.770115
11 C5P 0.464286 0.770115
12 CAR 0.464286 0.770115
13 CDC 0.460317 0.683673
14 1AA 0.444444 0.818182
15 2AA 0.434483 0.694444
16 CDP MG 0.425 0.752809
17 91P 0.42069 0.855556
18 C C 0.414062 0.770115
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FC4; Ligand: EDO; Similar sites found: 412
This union binding pocket(no: 1) in the query (biounit: 3fc4.bio2) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3MX2 TTP 0.0415 0.40817 0.693241
2 3IAE D7K 0.0004928 0.42173 1.05263
3 1U3D FAD 0.01216 0.40435 1.17878
4 2ZJ5 ADP 0.005287 0.45586 1.25
5 1Z4V DAN 0.003041 0.4466 1.31579
6 2VDJ HSE 0.01607 0.44922 1.3289
7 3AXB PRO 0.00001311 0.43359 1.33929
8 3AXB FAD 0.00008718 0.42634 1.33929
9 2NCD ADP 0.02351 0.43795 1.42857
10 2WHX ADP 0.03937 0.42554 1.45631
11 4MOB ADP 0.009242 0.41645 1.50602
12 2O2C G6Q 0.0008922 0.45969 1.63132
13 1T10 F6P 0.01172 0.43916 1.65289
14 1GJW GLC 0.008182 0.45829 1.72684
15 1GJW MAL 0.003117 0.45084 1.72684
16 1E5F PLP 0.0002083 0.48544 1.73267
17 1HV9 UD1 0.0004485 0.4201 1.75439
18 3ZPG 5GP 0.02001 0.45061 1.83246
19 4P53 NAI 0.002073 0.41054 1.90476
20 4J7H TRH 0.001136 0.44281 1.91083
21 4J7H TLO 0.005862 0.41253 1.91083
22 1HYE NAP 0.000899 0.43542 1.91693
23 2FEQ 34P 0.007888 0.41747 1.9305
24 2A2X NA9 0.007167 0.41569 1.9305
25 4P4T GDP 0.001451 0.44268 1.94444
26 2PTR 2SA 0.002628 0.40995 1.94805
27 1P1M MET 0.002578 0.42242 1.97044
28 3LRE ADP 0.01667 0.44412 1.97183
29 3K5I ADP 0.01935 0.41295 1.98511
30 2YP9 SIA CMO 0.02083 0.40214 1.98807
31 4IMG NGF 0.001063 0.44391 2.04778
32 1L8N GCW 0.004395 0.41096 2.06186
33 4G2R H1L 0.04393 0.40108 2.11416
34 2Q09 DI6 0.006587 0.44107 2.16346
35 1T26 NAI 0.0002339 0.40512 2.17391
36 1T26 GBD 0.0002339 0.40512 2.17391
37 1WDA BAG 0.0005096 0.49151 2.23881
38 2BH9 NAP 0.009204 0.4183 2.24949
39 3GTD MLI 0.02866 0.42029 2.28216
40 3OCZ SRA 0.006808 0.42002 2.29008
41 4M51 BEZ 0.002112 0.49624 2.34192
42 1Q8S MAN MMA 0.02264 0.43654 2.38095
43 2GN3 MMA 0.04357 0.40156 2.38095
44 1XVA SAM 0.003494 0.42428 2.39726
45 4KOA NDP 0.001517 0.446 2.4024
46 3QUR FM4 0.001265 0.40917 2.44755
47 3QUR ADP 0.001265 0.40917 2.44755
48 2POC BG6 0.02789 0.41718 2.45232
49 1NNS ASP 0.007225 0.4347 2.45399
50 1TV5 N8E 0.008183 0.41345 2.48307
51 1TV5 ORO 0.01766 0.40506 2.48307
52 1TV5 FMN 0.0003531 0.40013 2.48307
53 2HNK SAH 0.01279 0.40283 2.51046
54 2Z9V PXM 0.005213 0.45073 2.55102
55 1TFZ 869 0.00138 0.4396 2.59434
56 1XIU REA 0.0002945 0.47432 2.6087
57 1E4E PHY 0.00174 0.44786 2.62391
58 1E4E ADP 0.001792 0.43911 2.62391
59 2GN2 C5P 0.01454 0.40685 2.63158
60 2Q28 ADP 0.001733 0.43584 2.65957
61 1QZZ SAM 0.0001333 0.49897 2.6738
62 1XX4 BAM 0.01473 0.43192 2.68199
63 1SG4 CO8 0.001573 0.41737 2.69231
64 2XDQ MGX 0.003283 0.49415 2.73973
65 3O2K QRP 0.002198 0.45753 2.74262
66 3O2K DST 0.01846 0.42497 2.74262
67 3HB5 E2B 0.001479 0.42447 2.75229
68 1B4P GPS 0.002838 0.43135 2.76498
69 4E28 9MZ 0.009088 0.44998 2.76923
70 4E28 0MZ 0.009517 0.44353 2.76923
71 3JYN NDP 0.0005275 0.41523 2.76923
72 2X68 CTE 0.04027 0.40886 2.77008
73 4DFU QUE 0.02522 0.43447 2.79503
74 3P7I P7I 0.001773 0.47263 2.80374
75 1NJR XYL 0.003962 0.40137 2.8169
76 3IPQ 965 0.0004303 0.42653 2.82686
77 1PEA ACM 0.01394 0.45252 2.85714
78 1C3V PDC 0.04537 0.42112 2.85714
79 3BHO B4P 0.002697 0.50814 2.88462
80 4DYO SD4 0.01065 0.43156 2.8866
81 3H9E NAD 0.001577 0.41734 2.89017
82 3DER ALA LYS 0.00128 0.43706 2.89855
83 2C5S AMP 0.008295 0.43651 2.90557
84 2XT3 ADP 0.02023 0.44219 2.90698
85 2EJU SAH 0.001325 0.44421 2.91005
86 1C7S CBS 0.001899 0.45538 2.91375
87 1C1L GAL BGC 0.005518 0.4671 2.91971
88 2B7N NTM 0.03428 0.4165 2.9304
89 1E1O LYS 0.0008484 0.42951 2.97619
90 3HAZ NAD 0.0006595 0.42072 2.97685
91 3HAZ FAD 0.001015 0.4121 2.97685
92 2RGH FAD 0.00009923 0.41671 2.97723
93 3D3H M4O 0.001099 0.45599 3
94 3JQ3 ADP 0.0003262 0.49408 3.00546
95 3P9C SAH 0.001829 0.40173 3.02198
96 2ZJF BSU 0.005952 0.43842 3.03867
97 4PB2 5UD 0.003897 0.42599 3.06604
98 3IHB GLU 0.02963 0.42598 3.07018
99 2AHR NAP 0.0003469 0.42641 3.0888
100 1GOJ ADP 0.01313 0.45127 3.09859
101 4A8H PUW 0.001656 0.40688 3.09859
102 1A27 EST 0.001361 0.45221 3.11419
103 2I3G NAP 0.0005592 0.41722 3.125
104 3GJB AKG 0.0005327 0.49064 3.1348
105 3DGB MUC 0.004514 0.43922 3.14136
106 4IXW IXW 0.02327 0.41605 3.14961
107 2NP9 YE1 0.0008787 0.41131 3.18182
108 1NHZ 486 0.002431 0.42334 3.21429
109 2PZI AXX 0.04126 0.41149 3.23054
110 2RH4 EMO 0.00004933 0.41165 3.2491
111 2QQ0 ANP 0.0001125 0.44142 3.26087
112 2QQ0 THM 0.000424 0.42982 3.26087
113 2QQ0 ADP 0.002273 0.40135 3.26087
114 2QQ0 TMP 0.002273 0.40135 3.26087
115 2PP3 LGT 0.008053 0.42443 3.26633
116 1KYQ NAD 0.007802 0.41426 3.28467
117 2BKA NDP 0.002691 0.40418 3.30579
118 2XVF FAD 0.0005266 0.40497 3.30761
119 3QV9 QV7 0.002012 0.47607 3.40681
120 4KCT FDP 0.003378 0.44464 3.40681
121 4KCT PYR 0.01786 0.42132 3.40681
122 4BQS ADP 0.0262 0.42559 3.40909
123 2QCX PF1 0.004158 0.46089 3.42205
124 3UEC ALA ARG TPO LYS 0.005238 0.46826 3.42466
125 2O4J VD4 0.001424 0.41881 3.42466
126 1G8S MET 0.007531 0.45405 3.47826
127 1YQC GLV 0.02038 0.43415 3.52941
128 1ZZ7 S0H 0.0005925 0.49485 3.53535
129 3DG6 MUC 0.001622 0.45359 3.54223
130 2WK1 SAH 0.0002305 0.46467 3.5461
131 1ZS6 ADP 0.009575 0.43367 3.5503
132 4LNU GDP 0.01372 0.41443 3.5503
133 3LL5 ATP 0.0288 0.40468 3.61446
134 1CKM GTP 0.003776 0.423 3.63636
135 4Q0A 4OA 0.006611 0.41706 3.64238
136 3B6O TMP 0.01813 0.4426 3.64372
137 1ECM TSA 0.00328 0.45482 3.66972
138 4NAO AKG 0.004118 0.47363 3.68098
139 1H65 GDP 0.005171 0.41456 3.7037
140 2YGO PCF 0.003392 0.40097 3.7234
141 1ZJ6 G3D 0.00639 0.43273 3.74332
142 4K30 NLG 0.004075 0.45574 3.75
143 2HFK E4H 0.0007334 0.49053 3.76176
144 3PLN U5P 0.02146 0.42188 3.77358
145 4AMV F6R 0.03492 0.40901 3.77668
146 1IG3 VIB 0.001319 0.41129 3.80228
147 1SJD NPG 0.0005487 0.43942 3.80435
148 1I52 CTP 0.0003792 0.42825 3.81356
149 1RZM E4P 0.001989 0.48988 3.84615
150 1RZM PEP 0.0109 0.43573 3.84615
151 2JGS BTN 0.01815 0.42759 3.84615
152 2B99 RDL 0.04794 0.408 3.84615
153 2NVK NAP 0.0006149 0.4941 3.89344
154 2NVK FAD 0.0001354 0.41072 3.89344
155 3TFC PEP 0.002941 0.46236 3.8961
156 1VDC FAD 0.00001309 0.40386 3.9039
157 4EZD SEY 0.02992 0.42402 3.90625
158 1HKU NAD 0.0001661 0.43623 3.91061
159 4M5P MLA 0.002016 0.51542 3.9312
160 4M5P 23W 0.001973 0.49781 3.9312
161 4M5P FMN 0.003317 0.42172 3.9312
162 3SJU NDP 0.00007296 0.44719 3.94265
163 3MD0 GDP 0.01562 0.42397 3.94366
164 1LOR BMP 0.001312 0.41415 3.94737
165 1KTC NGA 0.00345 0.45912 3.95062
166 4L6C 0BT 0.002215 0.42481 3.9604
167 1IMB LIP 0.04114 0.40837 3.97112
168 1QDS PGA 0.003353 0.44943 3.98406
169 2ZO9 MLI 0.02303 0.41049 4.0146
170 2R5T ANP 0.001204 0.43805 4.02145
171 1U5R ATP 0.001551 0.44989 4.02299
172 1F1V DHY 0.0003511 0.49885 4.02477
173 4ASJ N6A 0.002714 0.4184 4.09556
174 1IIM TTP 0.0007102 0.40141 4.10959
175 1NU4 MLA 0.0003338 0.5732 4.12371
176 4Q3S X7A 0.001156 0.42494 4.15584
177 3JQB DX6 0.04253 0.42153 4.16667
178 1SJW NGV 0.01001 0.41681 4.16667
179 4NEC SAH 0.04573 0.40597 4.16667
180 3CF6 SP1 0.001816 0.4471 4.19162
181 4WB7 ATP 0.0104 0.42166 4.19753
182 2Q1W NAD 0.00003936 0.4519 4.2042
183 3A1I UNU 0.0004824 0.48658 4.22265
184 3BY8 MLT 0.002101 0.48867 4.22535
185 2C2A ADP 0.001772 0.44331 4.26357
186 2VN9 GVD 0.04863 0.41818 4.31894
187 1F3L SAH 0.004231 0.41461 4.36137
188 2C9O ADP 0.02363 0.4088 4.38596
189 1F5F DHT 0.0006948 0.45949 4.39024
190 4L1F FAD 0.0001265 0.4305 4.43864
191 4L1F COS 0.005385 0.40783 4.43864
192 2ZYF AKG 0.03019 0.41086 4.45026
193 4COQ SAN 0.004945 0.46315 4.45344
194 2W58 ADP 0.03827 0.42754 4.45545
195 2NPX FAD 0.0003909 0.40851 4.47427
196 4DN8 BMA 0.02675 0.42651 4.48718
197 2ZWS PLM 0.0001163 0.6007 4.48916
198 3KMZ EQO 0.002412 0.41119 4.51128
199 2NU8 COA 0.001933 0.41439 4.51389
200 4RJK PYR 0.004517 0.47866 4.55342
201 4RJK TPP 0.0004984 0.43072 4.55342
202 1O9U ADZ 0.00151 0.5128 4.57143
203 4MXP DB4 0.04884 0.40447 4.57317
204 2WA4 069 0.003618 0.44335 4.58453
205 1N9L FMN 0.004391 0.42398 4.58716
206 1Y42 TYR 0.001803 0.47229 4.59184
207 1FW1 GSH 0.000588 0.47202 4.62963
208 4PNI KQQ 0.001225 0.42731 4.63458
209 1MZV AMP 0.001193 0.46924 4.68085
210 1I2B UPG 0.0003399 0.41213 4.70297
211 1I2B USQ 0.0003399 0.41213 4.70297
212 1I2B NAD 0.0003399 0.41213 4.70297
213 4ORR PE3 0.00235 0.41447 4.73684
214 1TDF FAD 0.00001035 0.40414 4.74684
215 1TDF NAP 0.00009097 0.40288 4.74684
216 2YCD GTB 0.003117 0.44614 4.78261
217 1DCP HBI 0.01417 0.4339 4.80769
218 1V6A TRE 0.009844 0.44282 4.81928
219 1VE3 SAM 0.001995 0.4373 4.84582
220 2IZ1 ATR 0.002642 0.47669 4.85232
221 4DBH OXL 0.03281 0.42884 4.86111
222 2FH5 GTP 0.002295 0.43122 4.86486
223 2JBH 5GP 0.0003103 0.50128 4.88889
224 1Q7E MET 0.003227 0.40698 4.90654
225 1MXI SAH 0.0008323 0.45205 5
226 1EYE PMM 0.006114 0.43355 5
227 1LSS NAD 0.00539 0.41389 5
228 2OAT PFM 0.008127 0.41695 5.01139
229 2JFV FLC 0.00813 0.45239 5.07166
230 1Y75 NAG 0.00123 0.47416 5.08475
231 4C6F NCD 0.001701 0.46244 5.08906
232 4C6F DOR 0.001701 0.46244 5.08906
233 3BP1 GUN 0.04002 0.42202 5.17241
234 3NFZ 3NF 0.01351 0.4187 5.19878
235 5RHN 8BR 0.004501 0.431 5.21739
236 2F2U M77 0.0003599 0.49219 5.22388
237 1DLJ NAI 0.00001739 0.40221 5.22388
238 1DLJ UGA 0.00001998 0.401 5.22388
239 1SS4 GSH 0.001756 0.53776 5.22876
240 2WMO GTP 0.001663 0.45312 5.26316
241 1W7J ADP BEF 0.003293 0.4326 5.29801
242 2PR5 FMN 0.0002668 0.47124 5.30303
243 1B7Y FYA 0.002714 0.41235 5.35032
244 1GEE NAD 0.00002224 0.46302 5.36398
245 1NVV GNP 0.001918 0.41748 5.42169
246 1HDG NAD 0.005024 0.40324 5.42169
247 2BII MTV 0.001005 0.43371 5.42453
248 2NXW TPP 0.0002968 0.4255 5.48673
249 2Z9C FMN 0.00483 0.41894 5.5
250 2Q37 3AL 0.007349 0.44895 5.52486
251 2QLX RM4 0.006902 0.46209 5.55556
252 2Y6P CTP 0.003487 0.44868 5.55556
253 1I2L DCS 0.002211 0.43183 5.57621
254 2IYG FMN 0.0006715 0.47477 5.64516
255 1YB5 NAP 0.0004362 0.41494 5.69801
256 4KWI 1TJ 0.0001617 0.40876 5.70342
257 1I0Z OXM 0.01301 0.46102 5.70571
258 1I0Z NAI 0.0001026 0.44602 5.70571
259 4JWX 1N4 0.001949 0.47071 5.71429
260 1DNP FAD 0.01671 0.40072 5.73248
261 4P6G 2FZ 0.04506 0.4373 5.75221
262 3TKA CTN 0.004009 0.49552 5.76369
263 3TKA SAM 0.0008439 0.44377 5.76369
264 1YRX FMN 0.003776 0.43822 5.78512
265 1O0S NAI 0.003705 0.4136 5.78512
266 2Q1A 2KT 0.007604 0.45384 5.80205
267 4CVN ADP 0.03774 0.4245 5.83942
268 3I51 45C 0.004407 0.43967 5.92593
269 2WCI GSH 0.01705 0.43128 5.92593
270 4BG1 IVL 0.004419 0.41709 5.94315
271 4BG1 OGA 0.004419 0.41709 5.94315
272 1X9I G6Q 0.0344 0.4157 5.96026
273 4E13 NAD 0.0004466 0.45402 6.00707
274 2Y7G AAE 0.003735 0.43431 6.02837
275 1GU3 BGC BGC BGC BGC BGC 0.004505 0.4537 6.04027
276 3SIX GDP 0.0005936 0.47707 6.06061
277 3LTW HLZ 0.003105 0.4732 6.07143
278 3KO8 NAD 0.0009701 0.41002 6.08974
279 3A2Y TS5 0.008614 0.41594 6.09137
280 1B5E DCM 0.02105 0.41804 6.09756
281 1TUV VK3 0.001976 0.50635 6.14035
282 3MAG 3MA 0.001024 0.53236 6.18893
283 3MAG SAH 0.0008493 0.4476 6.18893
284 1Z44 NPO 0.04678 0.44362 6.21302
285 1Z44 FMN 0.003992 0.43721 6.21302
286 1Z41 FMN 0.003609 0.43492 6.21302
287 1Z48 FMN 0.004214 0.43217 6.21302
288 1M2Z BOG 0.04547 0.41982 6.22568
289 2QV7 ADP 0.002454 0.44176 6.23145
290 1R6D NAD 0.00001305 0.40782 6.23145
291 1R6D DAU 0.0000128 0.40721 6.23145
292 2W3L DRO 0.005897 0.48008 6.25
293 1OYB HBA 0.0005383 0.43287 6.25
294 1OYB FMN 0.001534 0.42719 6.25
295 3UN3 G16 0.02932 0.40853 6.26566
296 1B63 ANP 0.002094 0.42569 6.30631
297 1XE7 GUN 0.003649 0.49162 6.40394
298 3CQ5 PMP 0.002554 0.45976 6.50407
299 3GX0 GDS 0.00596 0.41546 6.51163
300 2HVW DCP 0.04395 0.40687 6.52174
301 4P5F AR6 0.02683 0.401 6.52742
302 3V91 UPG 0.001819 0.42791 6.52921
303 4OYA 1VE 0.0000929 0.41695 6.59574
304 1UF5 CDT 0.002329 0.45642 6.60066
305 5XHA FRU FRU 0.01904 0.41603 6.61157
306 2FOI JPA 0.0006794 0.48002 6.66667
307 1ULE GLA GAL NAG 0.02354 0.44031 6.66667
308 3I0O ADP 0.000643 0.48108 6.78466
309 3I0O SMI 0.009772 0.44298 6.78466
310 3I8P 840 0.0001357 0.49303 6.79157
311 1EB9 HBA 0.007367 0.43007 6.87023
312 2Y7P SAL 0.001742 0.47299 6.88073
313 1A8S PPI 0.01485 0.41885 6.95971
314 4M7F BM3 0.00569 0.43076 7.07965
315 2ZSC BTN 0.0003382 0.48206 7.0922
316 4INW 1EY 0.03544 0.40576 7.14286
317 3M31 FAD 0.001007 0.43367 7.2165
318 1RHC F42 ACN 0.0003813 0.42817 7.27273
319 4LHM AZZ 0.02539 0.42286 7.27273
320 1Y9Q MED 0.002014 0.48255 7.29167
321 4PTZ FMN 0.003153 0.43335 7.32984
322 3TY3 GGG 0.03495 0.42368 7.37705
323 2O66 FLC 0.003461 0.46473 7.40741
324 2I7C AAT 0.0003398 0.42086 7.42049
325 1YOA FMN 0.007608 0.49153 7.54717
326 1YOA FAD 0.0005414 0.447 7.54717
327 2DT5 NAD 0.0004894 0.42478 7.58294
328 3TW1 AHN 0.01144 0.45637 7.59494
329 2ORV 4TA 0.001253 0.42697 7.69231
330 2OFE NAG 0.0008928 0.5001 7.74648
331 2E1A MSE 0.003978 0.45102 8
332 3SHR CMP 0.007538 0.43388 8.02676
333 3D2Y AH0 ALA FGA LYS 0.001752 0.4395 8.04598
334 1Q11 TYE 0.003438 0.45918 8.06452
335 1N1G BCP 0.0001393 0.42637 8.19672
336 4L7I SAM 0.005601 0.4234 8.35381
337 2ZQO NGA 0.04264 0.4185 8.46154
338 1KYZ SAH 0.0002889 0.4699 8.49315
339 4WVH ASP HIS ASP ALA HIS ALA 0.004618 0.44808 8.63039
340 1M9H NAD 0.007141 0.4141 8.63309
341 2AWN ADP 0.01773 0.4395 8.66142
342 1QO0 BMD 0.01338 0.44159 8.67347
343 2VPR TDC 0.0008317 0.46093 8.69565
344 3F8C HT1 0.01367 0.43592 8.73016
345 1SZD APR 0.0008796 0.40363 8.75421
346 3NOJ PYR 0.02403 0.42176 8.82353
347 1CTU ZEB 0.009963 0.41342 8.84354
348 2Q8H TF4 0.006105 0.47924 8.84521
349 1L3I SAH 0.0004585 0.43519 8.85417
350 1NYT NAP 0.001253 0.42376 8.85609
351 3L0E G58 0.002672 0.40971 9.09091
352 3R51 MMA 0.0007909 0.52832 9.375
353 1QD0 RR6 0.004867 0.43782 9.375
354 1BTN I3P 0.001483 0.53766 9.43396
355 2YLD CMO 0.0296 0.42757 9.44882
356 1A5Z FBP 0.01007 0.40679 9.71787
357 3KJQ B94 0.001468 0.46018 9.7561
358 1EJE FMN 0.003715 0.4268 9.89583
359 3NGU ADP 0.01698 0.4108 9.93377
360 3S9K CIT 0.001588 0.55004 10.1695
361 1GG6 APL 0.02009 0.43119 10.3093
362 1K6M AGS 0.001331 0.43283 10.4167
363 2PVQ GSH 0.01203 0.41014 10.4478
364 2D24 XYS XYS 0.03671 0.44229 10.5505
365 2QTR NXX 0.0007828 0.41557 10.582
366 2D2I NAP 0.003893 0.40987 10.7895
367 4N7C AEF 0.01943 0.43887 10.7955
368 3KMT SAH 0.0009932 0.4625 10.9244
369 3F81 STT 0.00738 0.47468 10.929
370 4QCK ASD 0.0008868 0.42886 11.399
371 4OHB 5HM 0.01541 0.40911 11.5789
372 4OB6 S2T 0.004497 0.43102 11.7302
373 4QDF 30Q 0.002714 0.4081 11.7949
374 1SQ5 ADP 0.0005683 0.47788 12.013
375 1SQ5 PAU 0.003022 0.46181 12.013
376 2DVZ GLU 0.04288 0.41395 12.4204
377 4CFS HQD 0.04344 0.41029 12.5436
378 3RF4 FUN 0.00112 0.48194 12.931
379 1DQE BOM 0.02836 0.40499 13.1387
380 3CIP ATP 0.0001057 0.41096 13.2812
381 2GJN FMN 0.0001676 0.45344 13.4146
382 2GJN NIS 0.0002198 0.44231 13.4146
383 1DBT U5P 0.008705 0.4124 13.8075
384 4B9E FAH 0.0372 0.4213 13.9535
385 2IMF GSH 0.005996 0.40334 14.2857
386 2IMF TOM 0.005996 0.40334 14.2857
387 2BOI MFU 0.006104 0.44752 15.0442
388 2FYU FDN 0.00003056 0.50778 16.0714
389 3QDT A2G GAL 0.004887 0.47684 16.0839
390 3QDY A2G GAL 0.005071 0.47598 16.0839
391 3QDY CBS 0.01654 0.4425 16.0839
392 2EB5 OXL 0.01941 0.4335 16.1049
393 2RHQ GAX 0.005329 0.41097 17.0068
394 4F4S EFO 0.006471 0.44634 17.1053
395 1LNX URI 0.002384 0.46662 17.284
396 3CH5 GDP 0.001428 0.4607 17.3077
397 1T0S BML 0.002914 0.4888 17.4419
398 2GNK ATP 0.007808 0.41425 17.8571
399 3BF1 PAU 0.02217 0.42582 18.0723
400 1H8G CHT 0.003551 0.51147 18.9474
401 2J73 GLC GLC GLC 0.01884 0.43858 19.4175
402 3E5H GNP 0.0001846 0.45583 22.4719
403 2FR6 URI 0.0003398 0.46716 22.6027
404 2FR6 CTN 0.00166 0.44041 22.6027
405 2V5E SCR 0.0221 0.45538 22.7723
406 4AIA ADK 0.0438 0.41377 22.8723
407 1S8F GDP 0.0003968 0.43728 23.1638
408 4CCO OGA 0.003972 0.45625 25
409 1V97 MTE 0.00000000006632 0.66786 38.5888
410 1FIQ MTE 0.00000000006776 0.52687 42.8571
411 1FIQ SAL 0.0000000001672 0.52687 42.8571
412 3P3N AKG 0.009972 0.44797 45
Pocket No.: 2; Query (leader) PDB : 3FC4; Ligand: EDO; 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: 3fc4.bio2) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3FC4; Ligand: EDO; 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: 3fc4.bio2) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3FC4; Ligand: EDO; Similar sites found: 10
This union binding pocket(no: 4) in the query (biounit: 3fc4.bio1) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UP4 NAG 0.0351 0.41745 1.99501
2 4UP4 NDG 0.0351 0.41745 1.99501
3 4ZXF 4S7 0.02371 0.40873 2.05882
4 4XGU ADP 0.03697 0.40484 3.06604
5 4CM4 4NR 0.02781 0.42955 4.16667
6 4Y8D 49J 0.04656 0.41927 7.14286
7 4XPL ACO 0.04079 0.4027 8.58896
8 5UXH GFB 0.03059 0.40342 10.8992
9 4YSW URC 0.00002326 0.6092 38.0375
10 5G5G MCN 0.000000000008411 0.58281 43.0328
Pocket No.: 5; Query (leader) PDB : 3FC4; Ligand: EDO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3fc4.bio1) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3FC4; Ligand: EDO; 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: 3fc4.bio1) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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