Receptor
PDB id Resolution Class Description Source Keywords
3P80 1.2 Å EC: 1.6.99.1 PENTAERYTHRITOL TETRANITRATE REDUCTASE CO-CRYSTAL STRUCTURE BOUND (E)-1-(3'-HYDROXYPHENYL)-2-NITROETHENE ENTEROBACTER CLOACAE OLD YELLOW ENZYME FAMILY ALPHA BETA BARREL OXIDOREDUCTASE
Ref.: A SITE-SATURATED MUTAGENESIS STUDY OF PENTAERYTHRIT TETRANITRATE REDUCTASE REVEALS THAT RESIDUES 181 AN INFLUENCE LIGAND BINDING, STEREOCHEMISTRY AND REACT CHEMBIOCHEM V. 12 738 2011
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...
P80 A:402;
A:403;
 Valid;
Valid;
 none;
none;
 submit data
165.146 C8 H7 N O3 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: P80; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 P80 1 1
2 P81 0.47619 1
3 NS8 0.452381 0.766667
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: P80; Similar ligands found: 842
No: Ligand Similarity coefficient
1 LSQ 0.9960
2 TCA 0.9727
3 PO6 0.9681
4 4XF 0.9667
5 HCI 0.9666
6 XIZ 0.9666
7 14W 0.9591
8 CXP 0.9590
9 Q9Z 0.9559
10 2HC 0.9534
11 F06 0.9533
12 J6W 0.9530
13 FER 0.9524
14 263 0.9515
15 HFA 0.9513
16 GZ2 0.9505
17 HC4 0.9498
18 DHC 0.9492
19 J0Z 0.9485
20 DPN 0.9483
21 4BL 0.9476
22 N9J 0.9455
23 PPY 0.9455
24 TB8 0.9452
25 R20 0.9451
26 4BY 0.9447
27 4V2 0.9444
28 N91 0.9443
29 ALE 0.9438
30 428 0.9433
31 3VX 0.9429
32 ESX 0.9422
33 3ZB 0.9421
34 NFA 0.9420
35 LVD 0.9412
36 DHY 0.9398
37 6TZ 0.9392
38 P7Y 0.9391
39 GO2 0.9387
40 DI6 0.9385
41 GJK 0.9376
42 PBA 0.9376
43 MPV 0.9374
44 HPP 0.9372
45 AHC 0.9372
46 TMG 0.9370
47 8NB 0.9370
48 XCG 0.9364
49 QUS 0.9362
50 363 0.9361
51 ZZ2 0.9358
52 PHE 0.9357
53 4LW 0.9357
54 33S 0.9356
55 BZ2 0.9353
56 DAH 0.9352
57 ICB 0.9350
58 1X4 0.9348
59 3HP 0.9346
60 YZM 0.9346
61 N4B 0.9343
62 FK8 0.9340
63 MES 0.9339
64 268 0.9338
65 ESP 0.9337
66 MMS 0.9328
67 AOT 0.9327
68 HX4 0.9325
69 L22 0.9325
70 URO 0.9325
71 IYR 0.9323
72 ARG 0.9321
73 UNJ 0.9319
74 RCV 0.9312
75 6Q3 0.9310
76 AKG 0.9303
77 PPT 0.9302
78 PAC 0.9300
79 4LV 0.9299
80 F4E 0.9298
81 S8V 0.9297
82 TU0 0.9293
83 X48 0.9287
84 2FX 0.9283
85 Y3L 0.9282
86 3EB 0.9281
87 PBN 0.9281
88 HSX 0.9273
89 M6H 0.9272
90 XQI 0.9271
91 XDK 0.9265
92 S0W 0.9264
93 492 0.9264
94 1L5 0.9263
95 61M 0.9263
96 HIC 0.9262
97 BP7 0.9260
98 IOP 0.9260
99 JFJ 0.9258
100 JCZ 0.9255
101 AX3 0.9255
102 9BF 0.9254
103 SSB 0.9253
104 264 0.9251
105 LDP 0.9248
106 NFM 0.9248
107 PRA 0.9245
108 ARP 0.9245
109 N7I 0.9245
110 RKV 0.9244
111 OOG 0.9242
112 ENO 0.9240
113 I2E 0.9238
114 HQJ 0.9238
115 BZE 0.9237
116 NYL 0.9234
117 QIV 0.9233
118 JBZ 0.9228
119 GLU 0.9226
120 3YP 0.9226
121 OHJ 0.9226
122 B3U 0.9224
123 A5E 0.9221
124 11C 0.9219
125 3H2 0.9218
126 TZM 0.9214
127 463 0.9213
128 4WL 0.9213
129 TYE 0.9212
130 8NX 0.9207
131 YIP 0.9205
132 CIY 0.9205
133 8SZ 0.9205
134 R2P 0.9203
135 6FZ 0.9201
136 HIS 0.9201
137 M1Z 0.9195
138 HF2 0.9195
139 SYC 0.9191
140 0NX 0.9191
141 GB5 0.9188
142 S7S 0.9184
143 ABF 0.9180
144 BNF 0.9180
145 IWT 0.9179
146 HJH 0.9177
147 KTW 0.9176
148 YOF 0.9176
149 TYL 0.9173
150 J9N 0.9173
151 NAG 0.9171
152 IAC 0.9169
153 H7Y 0.9167
154 RP3 0.9166
155 L5V 0.9165
156 1F1 0.9165
157 HPS 0.9162
158 F90 0.9154
159 KTA 0.9154
160 56D 0.9149
161 QBM 0.9148
162 CFA 0.9147
163 TYR 0.9146
164 TAG 0.9145
165 BPY 0.9143
166 PIM 0.9142
167 D3G 0.9140
168 MP5 0.9140
169 MUK 0.9139
170 TRP 0.9139
171 ENW 0.9138
172 0A9 0.9138
173 M3E 0.9135
174 258 0.9133
175 JB8 0.9132
176 ESI 0.9132
177 SNO 0.9132
178 FZM 0.9130
179 CK1 0.9130
180 12T 0.9127
181 4FE 0.9127
182 HXY 0.9127
183 CXH 0.9124
184 IOS 0.9124
185 PLP 0.9122
186 GB4 0.9119
187 4PN 0.9118
188 GVY 0.9118
189 RLG 0.9117
190 FF2 0.9116
191 92G 0.9114
192 UN1 0.9113
193 LEL 0.9110
194 DTY 0.9106
195 R9M 0.9105
196 4BF 0.9105
197 RJY 0.9105
198 D6G 0.9104
199 PIY 0.9103
200 S0D 0.9103
201 C82 0.9102
202 CPZ 0.9099
203 HL4 0.9099
204 4ZA 0.9098
205 YF3 0.9097
206 LT1 0.9096
207 4FF 0.9095
208 MSR 0.9093
209 BQ2 0.9092
210 B41 0.9091
211 36E 0.9090
212 DZA 0.9089
213 0W1 0.9088
214 795 0.9087
215 0JD 0.9086
216 DTR 0.9086
217 ISA 0.9084
218 EVF 0.9084
219 J9T 0.9083
220 RA7 0.9082
221 S2G 0.9082
222 78Y 0.9081
223 EDR 0.9078
224 EV0 0.9077
225 BNL 0.9076
226 0HN 0.9073
227 42J 0.9071
228 2D2 0.9070
229 EN1 0.9068
230 B40 0.9067
231 Z70 0.9067
232 K97 0.9066
233 1A7 0.9065
234 PJL 0.9062
235 A29 0.9060
236 JAW 0.9059
237 E7S 0.9059
238 GOE 0.9058
239 069 0.9058
240 QH3 0.9056
241 EYV 0.9055
242 BG6 0.9053
243 G6P 0.9053
244 E1T 0.9053
245 6SD 0.9052
246 PLR 0.9052
247 LYS 0.9051
248 1PS 0.9051
249 0BP 0.9049
250 5TZ 0.9048
251 YPN 0.9048
252 SNU 0.9047
253 K7M 0.9047
254 NF3 0.9047
255 GNW 0.9045
256 EOL 0.9045
257 AHN 0.9045
258 HPT 0.9044
259 OGA 0.9044
260 5OO 0.9041
261 2HG 0.9040
262 1BN 0.9040
263 S7G 0.9039
264 ZEC 0.9038
265 HA5 0.9036
266 8U3 0.9035
267 TOH 0.9035
268 4I8 0.9034
269 833 0.9034
270 RP5 0.9034
271 3D8 0.9033
272 3IL 0.9032
273 7VP 0.9029
274 PH3 0.9028
275 CK2 0.9028
276 B85 0.9027
277 2ZM 0.9026
278 BY5 0.9025
279 PFF 0.9025
280 3R4 0.9021
281 SHI 0.9018
282 JOV 0.9016
283 15N 0.9016
284 1M2 0.9011
285 JF1 0.9009
286 C53 0.9007
287 DER 0.9006
288 M3P 0.9005
289 F52 0.9002
290 QME 0.9000
291 7O4 0.8999
292 HHI 0.8998
293 2LT 0.8998
294 8WT 0.8997
295 9F8 0.8996
296 G14 0.8996
297 GO8 0.8995
298 ASC 0.8995
299 ONH 0.8994
300 EWG 0.8993
301 JP2 0.8992
302 6NT 0.8992
303 STT 0.8991
304 M3H 0.8990
305 2IT 0.8990
306 DGL 0.8990
307 2BG 0.8989
308 ZHA 0.8986
309 M5H 0.8986
310 KMY 0.8986
311 5LA 0.8985
312 VM1 0.8984
313 4NB 0.8983
314 LQ2 0.8983
315 0SY 0.8983
316 TZF 0.8980
317 GLN 0.8979
318 S7D 0.8979
319 GF4 0.8979
320 6ZX 0.8978
321 TYC 0.8978
322 3PG 0.8977
323 I3E 0.8976
324 6NI 0.8974
325 L14 0.8974
326 6FB 0.8973
327 0HO 0.8972
328 0LH 0.8968
329 ZRK 0.8967
330 TSS 0.8965
331 36Y 0.8964
332 8XL 0.8963
333 PUE 0.8963
334 1FE 0.8963
335 M74 0.8963
336 B2J 0.8962
337 O45 0.8962
338 PTU 0.8961
339 0A1 0.8961
340 XIY 0.8960
341 Q04 0.8959
342 RQD 0.8959
343 DIR 0.8957
344 60L 0.8957
345 7MU 0.8957
346 TT4 0.8956
347 4TB 0.8955
348 4P5 0.8950
349 LL1 0.8949
350 AMR 0.8948
351 DE5 0.8948
352 LTN 0.8948
353 4Z9 0.8946
354 ZME 0.8946
355 5F5 0.8945
356 GGL 0.8945
357 FEH 0.8945
358 GWM 0.8944
359 S2P 0.8944
360 CH9 0.8943
361 MUC 0.8943
362 SSC 0.8942
363 HJ7 0.8942
364 PEA 0.8942
365 A5H 0.8941
366 AS3 0.8940
367 5RP 0.8939
368 3NY 0.8939
369 5NI 0.8939
370 M45 0.8938
371 A5P 0.8938
372 XEN 0.8937
373 ZIP 0.8936
374 L5D 0.8936
375 3VS 0.8936
376 F4K 0.8935
377 SKF 0.8932
378 Q4G 0.8931
379 S3C 0.8931
380 K82 0.8930
381 8WO 0.8930
382 JPQ 0.8930
383 5F8 0.8929
384 5E5 0.8929
385 1SV 0.8929
386 8ZE 0.8926
387 ZON 0.8926
388 6KT 0.8925
389 6L6 0.8925
390 GRQ 0.8925
391 KTJ 0.8924
392 MLZ 0.8922
393 MXD 0.8921
394 ONR 0.8921
395 4OG 0.8921
396 2P3 0.8920
397 505 0.8920
398 9R5 0.8919
399 PHI 0.8918
400 C0W 0.8917
401 49F 0.8916
402 PEL 0.8916
403 SBK 0.8915
404 DYT 0.8913
405 45L 0.8913
406 LNR 0.8912
407 C4E 0.8912
408 0LO 0.8910
409 6J5 0.8909
410 N3W 0.8908
411 5WN 0.8907
412 ABI 0.8906
413 6C8 0.8906
414 3OM 0.8905
415 DEZ 0.8905
416 EGR 0.8904
417 3VQ 0.8904
418 2JX 0.8904
419 SLS 0.8902
420 YTX 0.8902
421 1ZC 0.8902
422 A6W 0.8900
423 JAH 0.8899
424 5GT 0.8899
425 Q06 0.8899
426 N4E 0.8898
427 C1M 0.8898
428 4G2 0.8898
429 SRO 0.8898
430 BHH 0.8897
431 TIH 0.8895
432 344 0.8891
433 JDN 0.8889
434 GLR 0.8889
435 CIR 0.8889
436 5FL 0.8888
437 3GZ 0.8888
438 AJG 0.8887
439 N2M 0.8886
440 X6W 0.8886
441 0XR 0.8886
442 GCO 0.8885
443 2UB 0.8885
444 2QC 0.8884
445 LJ3 0.8883
446 6HP 0.8883
447 FUD 0.8883
448 I38 0.8880
449 2AL 0.8879
450 0FR 0.8878
451 R52 0.8878
452 R5P 0.8878
453 97T 0.8878
454 549 0.8878
455 AVX 0.8877
456 J9Q 0.8875
457 AVA 0.8875
458 6MW 0.8875
459 DHM 0.8875
460 EXD 0.8873
461 J4K 0.8873
462 URS 0.8871
463 KYN 0.8871
464 TA6 0.8871
465 0L1 0.8869
466 5SP 0.8869
467 AMQ 0.8868
468 DGN 0.8868
469 RNO 0.8868
470 EQA 0.8868
471 DX5 0.8867
472 YRL 0.8867
473 SDD 0.8867
474 52C 0.8866
475 TZP 0.8866
476 PHU 0.8865
477 LZ5 0.8864
478 4NP 0.8863
479 E3X 0.8863
480 R1P 0.8862
481 11X 0.8861
482 SEP 0.8861
483 MAJ 0.8861
484 TJM 0.8860
485 3OL 0.8860
486 4FA 0.8860
487 SR1 0.8859
488 CXF 0.8858
489 KLS 0.8858
490 4R1 0.8853
491 5H6 0.8853
492 78U 0.8853
493 I4B 0.8853
494 KPA 0.8852
495 9ZE 0.8851
496 EQW 0.8851
497 F1X 0.8850
498 9NB 0.8850
499 KLE 0.8849
500 F5C 0.8847
501 EXR 0.8846
502 68A 0.8846
503 K4V 0.8845
504 NIY 0.8845
505 3XH 0.8845
506 M5E 0.8843
507 BPW 0.8843
508 2BX 0.8842
509 ODK 0.8842
510 3LJ 0.8842
511 DHI 0.8842
512 RBJ 0.8841
513 4BZ 0.8840
514 NPI 0.8838
515 4ZD 0.8837
516 BGP 0.8835
517 GJP 0.8835
518 0UL 0.8834
519 N2I 0.8833
520 13P 0.8833
521 0F9 0.8832
522 7MW 0.8830
523 EMZ 0.8829
524 AN3 0.8829
525 GLO 0.8827
526 BGU 0.8827
527 X0U 0.8827
528 4BX 0.8826
529 UA5 0.8825
530 MD6 0.8825
531 PJW 0.8823
532 RD4 0.8822
533 HG3 0.8821
534 T2D 0.8820
535 4Z1 0.8819
536 CLU 0.8818
537 H35 0.8818
538 GLP 0.8817
539 28B 0.8816
540 5XA 0.8815
541 QMP 0.8815
542 GVG 0.8814
543 2GQ 0.8814
544 5TY 0.8813
545 3C5 0.8813
546 MLY 0.8813
547 SAF 0.8813
548 36M 0.8812
549 HNL 0.8810
550 6HN 0.8808
551 AY4 0.8808
552 M4E 0.8804
553 4NS 0.8804
554 5O5 0.8803
555 YIH 0.8803
556 OSE 0.8802
557 JG8 0.8801
558 JND 0.8801
559 3A9 0.8800
560 SOR 0.8800
561 X04 0.8798
562 8D6 0.8798
563 MMJ 0.8797
564 V2Z 0.8796
565 27B 0.8796
566 RES 0.8795
567 P9E 0.8795
568 S60 0.8794
569 A51 0.8794
570 SQV 0.8794
571 28A 0.8793
572 5OY 0.8793
573 P93 0.8792
574 MHO 0.8792
575 3AE 0.8792
576 6RQ 0.8792
577 AEG 0.8792
578 S7J 0.8791
579 271 0.8791
580 AZY 0.8791
581 2F6 0.8790
582 5O6 0.8790
583 LR2 0.8789
584 2UZ 0.8789
585 M4T 0.8788
586 NDG 0.8787
587 9JT 0.8787
588 47V 0.8787
589 XYH 0.8786
590 ANN 0.8786
591 D2G 0.8785
592 VXX 0.8785
593 FHV 0.8784
594 S7A 0.8783
595 64Z 0.8783
596 NCT 0.8782
597 DXG 0.8782
598 1Z6 0.8781
599 650 0.8781
600 9GB 0.8781
601 4MB 0.8780
602 X1R 0.8780
603 3C4 0.8779
604 R9Y 0.8778
605 M6P 0.8778
606 E4P 0.8778
607 FHC 0.8777
608 GZL 0.8776
609 3Y7 0.8776
610 V1T 0.8776
611 LO1 0.8776
612 M3Q 0.8775
613 9FE 0.8769
614 92P 0.8768
615 4HB 0.8767
616 PSJ 0.8760
617 F6P 0.8760
618 4RU 0.8759
619 9UL 0.8759
620 3IB 0.8758
621 N1E 0.8757
622 B1J 0.8756
623 HBO 0.8755
624 1HN 0.8754
625 BVA 0.8754
626 0K7 0.8753
627 ORN 0.8753
628 XI7 0.8753
629 JRB 0.8753
630 AOY 0.8752
631 URP 0.8752
632 AEF 0.8751
633 KDV 0.8750
634 OKG 0.8750
635 LRW 0.8750
636 BRH 0.8749
637 ZZA 0.8748
638 2HU 0.8747
639 6HO 0.8744
640 4TP 0.8744
641 F9Y 0.8744
642 ANC 0.8744
643 7UC 0.8741
644 LYL 0.8741
645 SOL 0.8740
646 SWX 0.8738
647 6C5 0.8736
648 KYA 0.8736
649 NFZ 0.8735
650 HNE 0.8735
651 AG2 0.8735
652 AOS 0.8731
653 4GU 0.8730
654 LR5 0.8730
655 EUE 0.8730
656 FBB 0.8729
657 2JJ 0.8729
658 3HG 0.8728
659 CTE 0.8727
660 KDG 0.8725
661 6FG 0.8725
662 DHH 0.8725
663 6QF 0.8724
664 DXP 0.8724
665 4CM 0.8723
666 PNZ 0.8723
667 BIK 0.8721
668 S0E 0.8720
669 PNP 0.8719
670 5XC 0.8719
671 PRZ 0.8718
672 B4O 0.8717
673 DTE 0.8716
674 2K8 0.8715
675 FTV 0.8715
676 6DP 0.8715
677 EOU 0.8714
678 INO 0.8713
679 FCW 0.8713
680 GDL 0.8713
681 8CC 0.8712
682 SG2 0.8712
683 FBF 0.8711
684 RUJ 0.8710
685 OTR 0.8710
686 AAN 0.8709
687 6C9 0.8709
688 TR7 0.8706
689 PML 0.8705
690 EXL 0.8705
691 AMH 0.8705
692 RVE 0.8705
693 15E 0.8702
694 GJZ 0.8699
695 E5X 0.8698
696 TWO 0.8696
697 HNH 0.8696
698 58X 0.8695
699 VC3 0.8695
700 R9J 0.8694
701 ES2 0.8694
702 5TO 0.8693
703 PH2 0.8692
704 3QM 0.8692
705 TPA 0.8687
706 SZ7 0.8687
707 0FK 0.8685
708 M78 0.8685
709 NAL 0.8682
710 ALN 0.8681
711 A6P 0.8679
712 API 0.8679
713 ZZU 0.8678
714 DXK 0.8676
715 PXP 0.8675
716 HSO 0.8675
717 80G 0.8674
718 657 0.8674
719 O2Y 0.8672
720 NLE 0.8671
721 BSX 0.8670
722 NPA 0.8670
723 GUA 0.8670
724 U7E 0.8669
725 2PV 0.8667
726 NIZ 0.8667
727 4NZ 0.8666
728 4NC 0.8666
729 7QD 0.8665
730 X11 0.8664
731 JLZ 0.8664
732 AM4 0.8663
733 L03 0.8661
734 M83 0.8661
735 AZM 0.8660
736 JGB 0.8659
737 YE7 0.8659
738 DHR 0.8658
739 F40 0.8657
740 SSM 0.8656
741 DHB 0.8654
742 4ME 0.8653
743 K2T 0.8652
744 MAH 0.8652
745 FOM 0.8652
746 TNX 0.8651
747 N2Z 0.8651
748 BHO 0.8649
749 QBP 0.8648
750 ZEA 0.8647
751 CSN 0.8646
752 6C4 0.8645
753 ISZ 0.8645
754 FP1 0.8645
755 PRL 0.8644
756 2O6 0.8644
757 6J9 0.8644
758 EXY 0.8643
759 JSX 0.8641
760 3SU 0.8641
761 PLP PMP 0.8641
762 PMP 0.8641
763 NNO 0.8641
764 152 0.8639
765 8HC 0.8639
766 2HO 0.8639
767 RK4 0.8638
768 CFI 0.8638
769 HHS 0.8637
770 6ZW 0.8636
771 YIE 0.8635
772 II4 0.8635
773 1IT 0.8635
774 27K 0.8634
775 9CA 0.8632
776 Y4L 0.8630
777 2PK 0.8630
778 3QV 0.8629
779 K25 0.8629
780 IPO 0.8628
781 26P 0.8627
782 5VM 0.8626
783 ZSP 0.8626
784 HPN 0.8624
785 ZEZ 0.8624
786 1VK 0.8623
787 S1D 0.8622
788 VBC 0.8621
789 94W 0.8620
790 FCD 0.8618
791 1P8 0.8618
792 HRM 0.8617
793 E79 0.8616
794 BZJ 0.8615
795 NLQ 0.8613
796 MET 0.8611
797 KF5 0.8611
798 FQX 0.8610
799 TCR 0.8609
800 ITE 0.8608
801 H4B 0.8608
802 FDR 0.8608
803 NGA 0.8608
804 E0O 0.8607
805 4A3 0.8606
806 1FD 0.8605
807 9FL 0.8601
808 GNM 0.8599
809 ZYC 0.8597
810 ERZ 0.8595
811 L21 0.8594
812 4YO 0.8594
813 717 0.8593
814 FWD 0.8593
815 FHB 0.8591
816 NLG 0.8589
817 LR8 0.8588
818 50C 0.8587
819 QMS 0.8584
820 GAE 0.8583
821 5VU 0.8574
822 8TX 0.8573
823 DDU 0.8570
824 7EH 0.8570
825 2V0 0.8568
826 2UD 0.8568
827 1XS 0.8567
828 VGD 0.8564
829 HL5 0.8564
830 SB7 0.8563
831 CHB 0.8563
832 ZYR 0.8559
833 5GV 0.8555
834 FBM 0.8554
835 PIQ 0.8550
836 MQN 0.8539
837 K34 0.8533
838 B55 0.8530
839 46P 0.8530
840 7I2 0.8526
841 IHB 0.8522
842 MIL 0.8518
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
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