Receptor
PDB id Resolution Class Description Source Keywords
1gvq 2 Å EC: 1.6.99.1 STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE AND COMP 2-CYCLOHEXENONE ENTEROBACTER CLOACAE FLAVOENZYME EXPLOSIVE DEGRADATION STEROID BINDING
Ref.: KINETIC AND STRUCTURAL BASIS OF REACTIVITY OF PENTAERYTHRITOL TETRANITRATE REDUCTASE WITH NADPH,2-CYCLOHEXENONE NITROESTERS AND NITROAROMATIC EXPLOSIVES J.BIOL.CHEM. V. 277 21906 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:401;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
A2Q A:500;
Valid;
none;
submit data
96.127 C6 H8 O C1CC=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VYP 1.27 Å EC: 1.6.99.1 STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE W102F MU COMPLEXED WITH PICRIC ACID ENTEROBACTER CLOACAE OXIDOREDUCTASE FLAVOENZYME EXPLOSIVE DEGRADATION STEROID
Ref.: ATOMIC RESOLUTION STRUCTURES AND SOLUTION BEHAVIOR ENZYME-SUBSTRATE COMPLEXES OF ENTEROBACTER CLOACAE PENTAERYTHRITOL TETRANITRATE REDUCTASE: MULTIPLE CONFORMATIONAL STATES AND IMPLICATIONS FOR THE MECH NITROAROMATIC EXPLOSIVE DEGRADATION J.BIOL.CHEM
Members (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1H60 Kd = 20 uM STR C21 H30 O2 CC(=O)[C@H....
2 3P7Y - P7Y C8 H7 N O3 c1ccc(c(c1....
3 1H50 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3P67 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 3KFT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1VYP Kd = 0.07 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
7 3P74 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1GVQ - A2Q C6 H8 O C1CC=CC(=O....
9 5LGX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2ABA Kd = 0.7 uM STR C21 H30 O2 CC(=O)[C@H....
11 6GIA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 6GI7 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 1VYS Kd = 0.24 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
14 1GVO - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 3P81 - P81 C8 H7 N O3 c1cc(ccc1/....
16 5LGZ - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
17 3P62 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 6GI9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 3P82 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1GVR - TNL C7 H5 N3 O6 Cc1c(cc(cc....
21 1H63 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 1H62 Kd = 17 uM ANB C19 H24 O2 C[C@]12CC[....
23 1GVS - TNF C6 H3 N3 O7 c1c(cc(c(c....
24 1H61 Kd = 13 uM PDN C21 H26 O5 C[C@]12CC(....
25 3P80 - P80 C8 H7 N O3 c1cc(cc(c1....
26 2ABB - IPA C3 H8 O CC(C)O
27 6GI8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
28 1VYR Kd = 5.4 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
29 1H51 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1H60 Kd = 20 uM STR C21 H30 O2 CC(=O)[C@H....
2 3P7Y - P7Y C8 H7 N O3 c1ccc(c(c1....
3 1H50 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3P67 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 3KFT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1VYP Kd = 0.07 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
7 3P74 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1GVQ - A2Q C6 H8 O C1CC=CC(=O....
9 5LGX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2ABA Kd = 0.7 uM STR C21 H30 O2 CC(=O)[C@H....
11 6GIA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 6GI7 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 1VYS Kd = 0.24 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
14 1GVO - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 3P81 - P81 C8 H7 N O3 c1cc(ccc1/....
16 5LGZ - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
17 3P62 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 6GI9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 3P82 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1GVR - TNL C7 H5 N3 O6 Cc1c(cc(cc....
21 1H63 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 1H62 Kd = 17 uM ANB C19 H24 O2 C[C@]12CC[....
23 1GVS - TNF C6 H3 N3 O7 c1c(cc(c(c....
24 1H61 Kd = 13 uM PDN C21 H26 O5 C[C@]12CC(....
25 3P80 - P80 C8 H7 N O3 c1cc(cc(c1....
26 2ABB - IPA C3 H8 O CC(C)O
27 6GI8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
28 1VYR Kd = 5.4 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
29 1H51 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (75)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1H60 Kd = 20 uM STR C21 H30 O2 CC(=O)[C@H....
2 3P7Y - P7Y C8 H7 N O3 c1ccc(c(c1....
3 1H50 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3P67 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 3KFT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1VYP Kd = 0.07 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
7 3P74 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1GVQ - A2Q C6 H8 O C1CC=CC(=O....
9 5LGX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2ABA Kd = 0.7 uM STR C21 H30 O2 CC(=O)[C@H....
11 6GIA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 6GI7 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 1VYS Kd = 0.24 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
14 1GVO - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 3P81 - P81 C8 H7 N O3 c1cc(ccc1/....
16 5LGZ - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
17 3P62 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 6GI9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 3P82 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1GVR - TNL C7 H5 N3 O6 Cc1c(cc(cc....
21 1H63 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 1H62 Kd = 17 uM ANB C19 H24 O2 C[C@]12CC[....
23 1GVS - TNF C6 H3 N3 O7 c1c(cc(c(c....
24 1H61 Kd = 13 uM PDN C21 H26 O5 C[C@]12CC(....
25 3P80 - P80 C8 H7 N O3 c1cc(cc(c1....
26 2ABB - IPA C3 H8 O CC(C)O
27 6GI8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
28 1VYR Kd = 5.4 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
29 1H51 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
30 2GQ9 - HBA C7 H6 O2 c1cc(ccc1C....
31 2GQ8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
32 2GOU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
33 2GQA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
34 2HS8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
35 2HS6 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
36 3HGO - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
37 2HSA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
38 3HGS - PHB C7 H6 O3 c1cc(ccc1C....
39 1OYB - HBA C7 H6 O2 c1cc(ccc1C....
40 1OYC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
41 1BWK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
42 1OYA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
43 6AGZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
44 4M5P - MLA C3 H4 O4 C(C(=O)O)C....
45 4TMB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
46 4TMC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
47 6S32 - BAM C7 H9 N2 c1ccc(cc1)....
48 1ICS - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
49 3HGR - PHB C7 H6 O3 c1cc(ccc1C....
50 1ICP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
51 1ICQ - OPD C18 H28 O3 CCC=CC[C@@....
52 3ATY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
53 3ATZ - HBA C7 H6 O2 c1cc(ccc1C....
54 6UFF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
55 6MYW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
56 6O08 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
57 1Q45 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
58 2Q3O - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
59 2R14 Kd = 0.63 mM TXD C21 H31 N7 O14 P2 c1nc(c2c(n....
60 3GX9 - TXD C21 H31 N7 O14 P2 c1nc(c2c(n....
61 1GWJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
62 1VJI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
63 2Q3R - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
64 4JIQ Kd = 0.73 mM 1L5 C9 H9 N O2 C/C(=CN(=O....
65 4JIP - HBA C7 H6 O2 c1cc(ccc1C....
66 4JIC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
67 5N6G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
68 4QNW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
69 6S31 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70 6S23 - KSW C6 H6 O CC1=CC=CC1....
71 6S0G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
72 4RNX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
73 4RNV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
74 4RNW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
75 4A3U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 9O9 0.574468 0.934211
4 RS3 0.571429 0.831169
5 FAD 0.543307 0.876543
6 FAS 0.543307 0.876543
7 FAE 0.539062 0.865854
8 UBG 0.534351 0.888889
9 5DD 0.475248 0.972603
10 LFN 0.475 0.643836
11 C3F 0.473684 0.74359
12 CF4 0.463918 0.734177
13 FAY 0.446043 0.864198
14 FNR 0.444444 0.909091
15 RFL 0.442857 0.845238
16 4LS 0.411215 0.875
17 1VY 0.406593 0.769231
18 DLZ 0.404494 0.782051
Ligand no: 2; Ligand: A2Q; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 A2Q 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 10
No: Ligand Similarity coefficient
1 7O6 0.9670
2 4X4 0.8996
3 4LU 0.8884
4 E2U 0.8865
5 HDF 0.8834
6 AFQ 0.8817
7 E2X 0.8805
8 E89 0.8698
9 1WJ 0.8673
10 FZZ 0.8606
Ligand no: 2; Ligand: A2Q; Similar ligands found: 607
No: Ligand Similarity coefficient
1 CYH 1.0000
2 2IM 1.0000
3 LGA 1.0000
4 WOT 1.0000
5 HRZ 1.0000
6 HVK 1.0000
7 9PO 1.0000
8 2AP 1.0000
9 3AP 1.0000
10 4AP 1.0000
11 CXL 1.0000
12 HAI 1.0000
13 V1L 1.0000
14 7EX 1.0000
15 IPH 1.0000
16 MBN 1.0000
17 L60 0.9985
18 BAQ 0.9946
19 GXE 0.9934
20 8CL 0.9934
21 93B 0.9931
22 TTO 0.9855
23 HHN 0.9823
24 GBL 0.9821
25 3TR 0.9814
26 PIH 0.9796
27 ATQ 0.9794
28 MB3 0.9793
29 CEJ 0.9790
30 HYN 0.9788
31 AMT 0.9784
32 3MT 0.9782
33 URA 0.9778
34 26D 0.9775
35 ECE 0.9770
36 6SP 0.9769
37 1CB 0.9769
38 HOW 0.9767
39 MR3 0.9765
40 2AI 0.9754
41 KSW 0.9749
42 5MP 0.9748
43 2MZ 0.9728
44 HPY 0.9728
45 MZY 0.9720
46 DUC 0.9700
47 BNZ 0.9688
48 AMC 0.9688
49 PHZ 0.9687
50 CYT 0.9686
51 HSL 0.9684
52 P1R 0.9681
53 40O 0.9669
54 8LG 0.9669
55 ICC 0.9665
56 8GF 0.9665
57 3ZS 0.9663
58 BML 0.9659
59 93Q 0.9656
60 4HS 0.9656
61 4JU 0.9654
62 SYN 0.9653
63 CRS 0.9651
64 282 0.9651
65 RCO 0.9650
66 XIX 0.9650
67 IOL 0.9642
68 4DX 0.9641
69 LG3 0.9640
70 PLQ 0.9640
71 5KX 0.9640
72 NBE 0.9639
73 LG4 0.9637
74 MMZ 0.9635
75 ABN 0.9632
76 HQE 0.9632
77 PCR 0.9625
78 1AN 0.9624
79 FP2 0.9623
80 CAQ 0.9622
81 FPN 0.9620
82 4JN 0.9619
83 HBX 0.9618
84 IDH 0.9618
85 DMI 0.9613
86 0PY 0.9613
87 APY 0.9613
88 MZ0 0.9611
89 25R 0.9608
90 LG5 0.9606
91 DA1 0.9606
92 B20 0.9606
93 BVF 0.9600
94 4XX 0.9597
95 BEW 0.9594
96 4CH 0.9590
97 2MH 0.9590
98 24T 0.9587
99 PXY 0.9587
100 DGY 0.9579
101 FPI 0.9573
102 PYF 0.9571
103 4MZ 0.9570
104 HGQ 0.9569
105 H3M 0.9569
106 3CH 0.9568
107 1MR 0.9568
108 25T 0.9568
109 BYZ 0.9565
110 2CH 0.9564
111 HTS 0.9561
112 1MZ 0.9560
113 284 0.9560
114 OXL 0.9554
115 ES3 0.9553
116 2KT 0.9553
117 BVC 0.9545
118 MLA 0.9544
119 BVG 0.9541
120 MLI 0.9536
121 DXX 0.9529
122 285 0.9527
123 M3T 0.9523
124 RP7 0.9522
125 DSN 0.9519
126 TMZ 0.9518
127 NVI 0.9518
128 HHQ 0.9512
129 2RA 0.9507
130 TMT 0.9505
131 PY7 0.9500
132 OXM 0.9491
133 92Z 0.9491
134 PRI 0.9490
135 L89 0.9490
136 J1Z 0.9487
137 3ZQ 0.9486
138 3PY 0.9485
139 B3R 0.9485
140 SER 0.9483
141 XYS 0.9482
142 1DH 0.9479
143 HEW 0.9477
144 A3B 0.9464
145 DBB 0.9464
146 JZ0 0.9464
147 HUI 0.9463
148 CIG 0.9461
149 PYJ 0.9458
150 280 0.9458
151 3MC 0.9454
152 E60 0.9453
153 HGW 0.9450
154 DMG 0.9444
155 6X8 0.9443
156 4H2 0.9442
157 3OH 0.9442
158 MLM 0.9437
159 THR 0.9435
160 XYP 0.9432
161 4AX 0.9432
162 B24 0.9431
163 PYG 0.9429
164 9CL 0.9427
165 OXE 0.9426
166 URF 0.9423
167 938 0.9422
168 OXD 0.9422
169 PYR 0.9419
170 C5J 0.9418
171 76X 0.9415
172 GOL 0.9412
173 HIU 0.9405
174 SMB 0.9405
175 FPY 0.9402
176 03W 0.9399
177 PYZ 0.9398
178 2AF 0.9393
179 JZ3 0.9393
180 MAK 0.9391
181 XAP 0.9391
182 DTI 0.9384
183 BU4 0.9381
184 JZ6 0.9380
185 WBU 0.9375
186 KG7 0.9371
187 BZI 0.9369
188 VAL 0.9368
189 TDR 0.9367
190 2OP 0.9365
191 BZF 0.9364
192 DE2 0.9359
193 HVQ 0.9353
194 0R1 0.9353
195 1AC 0.9349
196 1MC 0.9346
197 LAC 0.9345
198 0CT 0.9343
199 IND 0.9342
200 MBD 0.9340
201 MPI 0.9339
202 LZ1 0.9335
203 2EZ 0.9331
204 CYS 0.9330
205 FFP 0.9327
206 ICP 0.9321
207 PYD 0.9321
208 HGY 0.9317
209 KIV 0.9314
210 278 0.9310
211 2C9 0.9310
212 DEN 0.9309
213 39J 0.9305
214 R8A 0.9304
215 FLM 0.9304
216 NK 0.9304
217 275 0.9300
218 FOA 0.9300
219 BAL 0.9298
220 3FA 0.9298
221 MRY 0.9293
222 IDM 0.9290
223 2MY 0.9289
224 ALO 0.9288
225 ALA 0.9283
226 GMN 0.9276
227 AAE 0.9274
228 AKB 0.9268
229 1XX 0.9267
230 PYM 0.9267
231 6MH 0.9262
232 BUQ 0.9261
233 ALQ 0.9261
234 3CE 0.9260
235 MLT 0.9259
236 PRO 0.9259
237 PYC 0.9254
238 5UC 0.9253
239 6UA 0.9253
240 2MP 0.9252
241 RSF 0.9248
242 0R0 0.9246
243 DAL 0.9245
244 TH0 0.9244
245 2CM 0.9242
246 34A 0.9242
247 YHO 0.9242
248 YAN 0.9240
249 3MH 0.9236
250 SGL 0.9235
251 1PT 0.9229
252 MWM 0.9225
253 GOA 0.9222
254 GXV 0.9221
255 286 0.9219
256 JZ9 0.9218
257 4ZE 0.9218
258 2YU 0.9216
259 GVH 0.9216
260 JZ1 0.9215
261 TM4 0.9214
262 TFB 0.9213
263 DUB 0.9211
264 IUR 0.9207
265 MMU 0.9207
266 HDA 0.9203
267 BEN 0.9201
268 4HO 0.9200
269 MCT 0.9200
270 DAB 0.9199
271 P2D 0.9198
272 NCM 0.9197
273 2AC 0.9195
274 MEU 0.9195
275 NIS 0.9193
276 DCY 0.9192
277 0TR 0.9192
278 JBN 0.9189
279 JAB 0.9188
280 2PC 0.9184
281 A1U 0.9183
282 DPR 0.9183
283 BEZ 0.9183
284 43M 0.9182
285 23W 0.9181
286 AX2 0.9180
287 4JP 0.9179
288 OXQ 0.9175
289 WDL 0.9174
290 R2B 0.9172
291 EDG 0.9171
292 HBS 0.9169
293 ABA 0.9167
294 NAK 0.9165
295 SAR 0.9163
296 3HL 0.9162
297 XYD 0.9159
298 1AB 0.9159
299 R1X 0.9155
300 FW5 0.9154
301 265 0.9153
302 XBZ 0.9150
303 QOS 0.9150
304 BUO 0.9150
305 NCA 0.9149
306 NBZ 0.9148
307 C2N 0.9147
308 GBD 0.9145
309 HBA 0.9139
310 TM7 0.9137
311 FAH 0.9136
312 5AC 0.9136
313 HT4 0.9136
314 4JO 0.9135
315 BUA 0.9133
316 DTL 0.9130
317 3AY 0.9127
318 OHG 0.9125
319 LDU 0.9125
320 4CL 0.9125
321 5ZE 0.9120
322 IMR 0.9118
323 2HE 0.9117
324 5Y9 0.9115
325 AOA 0.9115
326 1DU 0.9114
327 5MH 0.9112
328 GAG 0.9112
329 NIO 0.9111
330 PZA 0.9110
331 BR9 0.9110
332 BP9 0.9110
333 LXC 0.9102
334 JZ2 0.9101
335 13X 0.9100
336 4JJ 0.9100
337 GLY 0.9098
338 HAE 0.9097
339 TLD 0.9096
340 6PC 0.9087
341 27Y 0.9086
342 3GR 0.9085
343 5JC 0.9078
344 CHT 0.9078
345 LER 0.9076
346 T2C 0.9076
347 192 0.9074
348 2HA 0.9073
349 MWJ 0.9073
350 VGL 0.9072
351 BAM 0.9071
352 SMV 0.9065
353 5AN 0.9065
354 C21 0.9058
355 PAE 0.9058
356 NEQ 0.9054
357 MZG 0.9053
358 TP5 0.9052
359 ARB 0.9051
360 SS2 0.9051
361 2DR 0.9050
362 HBR 0.9046
363 PPI 0.9043
364 94N 0.9041
365 7CZ 0.9040
366 GLV 0.9036
367 HY3 0.9035
368 M58 0.9033
369 FLA 0.9033
370 SIN 0.9032
371 AZF 0.9032
372 SS1 0.9030
373 MZW 0.9030
374 9TY 0.9027
375 273 0.9025
376 HSE 0.9024
377 IVA 0.9023
378 9YL 0.9020
379 O7U 0.9019
380 HPA 0.9019
381 0MK 0.9019
382 AHR 0.9017
383 2ZX 0.9013
384 PRS 0.9012
385 NIE 0.9012
386 C2A 0.9009
387 RIB 0.9008
388 UNU 0.9008
389 9X7 0.9007
390 ERH 0.9007
391 3HR 0.9006
392 JZ5 0.9006
393 Y8I 0.9004
394 FBA 0.9004
395 QSC 0.9003
396 BR8 0.9001
397 4VP 0.9001
398 YCP 0.8999
399 MAE 0.8997
400 64K 0.8994
401 BAE 0.8994
402 FJO 0.8991
403 OXZ 0.8984
404 RIP 0.8983
405 TZC 0.8978
406 ARA 0.8975
407 SSN 0.8972
408 ADE 0.8972
409 NHY 0.8967
410 IT2 0.8967
411 MRZ 0.8967
412 D2P 0.8967
413 AC0 0.8966
414 IFM 0.8965
415 FUL 0.8963
416 OAA 0.8960
417 7MH 0.8960
418 AKR 0.8958
419 DFU 0.8957
420 FUC 0.8947
421 60P 0.8947
422 HVB 0.8947
423 LMR 0.8944
424 MGX 0.8944
425 F3V 0.8944
426 AGU 0.8943
427 CP 0.8939
428 7HP 0.8939
429 F50 0.8935
430 10L 0.8933
431 PHB 0.8931
432 IMD 0.8929
433 JIF 0.8926
434 7WA 0.8923
435 TRI 0.8922
436 NTN 0.8921
437 HUH 0.8921
438 ASP 0.8921
439 CIZ 0.8921
440 23A 0.8919
441 MTG 0.8918
442 PM6 0.8918
443 4JL 0.8915
444 PZO 0.8915
445 PBC 0.8911
446 BMD 0.8910
447 47J 0.8909
448 FUF 0.8908
449 TAU 0.8907
450 RUU 0.8907
451 DFB 0.8906
452 NMU 0.8905
453 CRN 0.8901
454 4JM 0.8898
455 IQ0 0.8898
456 C2B 0.8898
457 EGD 0.8895
458 SEJ 0.8890
459 BTE 0.8888
460 ITU 0.8885
461 TCZ 0.8884
462 FUB 0.8881
463 PCA 0.8879
464 SAL 0.8879
465 ABE 0.8879
466 TAY 0.8878
467 DTU 0.8870
468 ITN 0.8869
469 TF4 0.8869
470 YTB 0.8868
471 BE2 0.8864
472 3BB 0.8856
473 UYA 0.8852
474 T6C 0.8850
475 JZ7 0.8847
476 H8N 0.8846
477 KOJ 0.8845
478 270 0.8845
479 6HQ 0.8844
480 HZP 0.8843
481 R3W 0.8841
482 32O 0.8835
483 61G 0.8835
484 HYP 0.8832
485 1DQ 0.8831
486 9HX 0.8830
487 3U4 0.8830
488 FCN 0.8822
489 F81 0.8817
490 UY7 0.8816
491 AGK 0.8815
492 JBE 0.8810
493 FYU 0.8810
494 POA 0.8809
495 Z6J 0.8807
496 51F 0.8806
497 IP0 0.8805
498 9DA 0.8804
499 F05 0.8800
500 4XR 0.8799
501 PPF 0.8798
502 3XX 0.8794
503 HV2 0.8792
504 HSM 0.8792
505 PBE 0.8789
506 ES6 0.8788
507 14J 0.8786
508 JFD 0.8785
509 ES4 0.8781
510 BNS 0.8781
511 ETF 0.8780
512 H76 0.8776
513 FCA 0.8776
514 ASN 0.8775
515 VNJ 0.8775
516 9EW 0.8775
517 3Z7 0.8774
518 HCS 0.8774
519 ICN 0.8773
520 P3K 0.8773
521 PAV 0.8773
522 6MP 0.8772
523 J3K 0.8770
524 2MI 0.8770
525 BZX 0.8770
526 NVA 0.8766
527 NMG 0.8764
528 P92 0.8764
529 AX7 0.8761
530 FAN 0.8758
531 HLR 0.8758
532 FK1 0.8757
533 H4N 0.8756
534 8NY 0.8754
535 ATO 0.8752
536 3SK 0.8750
537 BP1 0.8750
538 GIF 0.8748
539 NMJ 0.8747
540 34V 0.8746
541 2A1 0.8745
542 SVN 0.8743
543 HMH 0.8742
544 3CL 0.8740
545 23B 0.8740
546 CEE 0.8738
547 ZZT 0.8731
548 KYD 0.8726
549 ALF 0.8725
550 PAF 0.8722
551 RSO 0.8719
552 4SV 0.8718
553 TSZ 0.8718
554 TBP 0.8718
555 CSS 0.8716
556 HY1 0.8713
557 8H8 0.8711
558 2CK 0.8710
559 HLT 0.8710
560 260 0.8706
561 ES9 0.8705
562 TAR 0.8701
563 1WD 0.8701
564 5H1 0.8692
565 2K4 0.8692
566 URP 0.8687
567 24B 0.8686
568 5MB 0.8685
569 KPL 0.8684
570 NSP 0.8684
571 BTL 0.8683
572 NPY 0.8683
573 ODV 0.8677
574 JKE 0.8677
575 PEL 0.8675
576 5MI 0.8674
577 2XX 0.8672
578 11S 0.8671
579 XPO 0.8670
580 14O 0.8663
581 271 0.8661
582 HMU 0.8658
583 CXF 0.8657
584 1WG 0.8650
585 TB6 0.8646
586 261 0.8635
587 L3Q 0.8627
588 9A4 0.8622
589 PEA 0.8620
590 GLC 0.8618
591 AUD 0.8614
592 3NT 0.8605
593 6M4 0.8604
594 TH7 0.8600
595 45C 0.8599
596 HX3 0.8598
597 NPO 0.8594
598 40E 0.8588
599 PTO 0.8581
600 S0H 0.8576
601 BXA 0.8565
602 DAS 0.8564
603 ETM 0.8563
604 IHG 0.8554
605 RM4 0.8525
606 TLA 0.8521
607 ZZ3 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VYP; Ligand: FMN; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1vyp.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3B0P FMN 4.28571
2 3B0P FMN 4.28571
Pocket No.: 2; Query (leader) PDB : 1VYP; Ligand: TNF; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 1vyp.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3B0P FMN 4.28571
2 3B0P FMN 4.28571
APoc FAQ
Feedback