Receptor
PDB id Resolution Class Description Source Keywords
3P7Y 1.2 Å EC: 1.6.99.1 PENTAERYTHRITOL TETRANITRATE REDUCTASE CO-CRYSTAL STRUCTURE (E)-1-(2'-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...
P7Y A:402;
 Valid;
 none;
 submit data
165.146 C8 H7 N O3 c1ccc...
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: P7Y; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 P7Y 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: P7Y; Similar ligands found: 871
No: Ligand Similarity coefficient
1 2HC 0.9800
2 XIZ 0.9777
3 61M 0.9735
4 TCA 0.9718
5 F06 0.9679
6 PO6 0.9641
7 23J 0.9607
8 5OO 0.9576
9 HCI 0.9566
10 KTW 0.9536
11 TB8 0.9523
12 PPY 0.9498
13 PHE 0.9462
14 N9J 0.9454
15 HC4 0.9453
16 ESX 0.9452
17 PAC 0.9452
18 DHY 0.9449
19 NVU 0.9449
20 SBK 0.9445
21 P81 0.9439
22 ESP 0.9434
23 ESI 0.9432
24 HFA 0.9425
25 268 0.9392
26 P80 0.9391
27 MUC 0.9389
28 BZ2 0.9384
29 1A7 0.9383
30 NFM 0.9376
31 NFA 0.9376
32 HJH 0.9369
33 OMD 0.9366
34 A5E 0.9365
35 ICB 0.9359
36 DHC 0.9356
37 AKG 0.9353
38 1F1 0.9348
39 CFA 0.9347
40 CXP 0.9346
41 CH9 0.9343
42 505 0.9342
43 363 0.9338
44 DPN 0.9337
45 GLU 0.9334
46 2LP 0.9331
47 FF2 0.9329
48 IAC 0.9328
49 LSQ 0.9327
50 PZI 0.9326
51 S2P 0.9324
52 FK8 0.9318
53 Q9Z 0.9317
54 KTA 0.9315
55 HPP 0.9314
56 AX3 0.9313
57 IWT 0.9310
58 UFV 0.9310
59 R9M 0.9304
60 1LN 0.9304
61 MP5 0.9295
62 LVD 0.9293
63 3HP 0.9288
64 PFF 0.9287
65 L5V 0.9282
66 GO2 0.9279
67 YZM 0.9278
68 IOP 0.9277
69 J0Z 0.9276
70 TYR 0.9275
71 AOT 0.9274
72 7OD 0.9273
73 QUS 0.9270
74 F52 0.9267
75 4LV 0.9267
76 NYL 0.9267
77 PBA 0.9262
78 0W1 0.9260
79 4LW 0.9257
80 BNF 0.9257
81 BRH 0.9254
82 6FZ 0.9253
83 S0W 0.9247
84 ASC 0.9243
85 L22 0.9240
86 MMS 0.9240
87 PRA 0.9238
88 AMQ 0.9238
89 TOH 0.9237
90 STT 0.9235
91 5HY 0.9234
92 AHC 0.9232
93 B40 0.9230
94 NCT 0.9230
95 HL4 0.9223
96 J9Q 0.9223
97 0HN 0.9222
98 CPZ 0.9220
99 HWD 0.9220
100 PPT 0.9219
101 R20 0.9219
102 92K 0.9216
103 SHA 0.9216
104 EVF 0.9216
105 K7M 0.9215
106 SYC 0.9211
107 92G 0.9210
108 4SX 0.9210
109 FWD 0.9208
110 IOS 0.9208
111 HSX 0.9202
112 97T 0.9202
113 BNL 0.9202
114 36Y 0.9202
115 0FK 0.9200
116 264 0.9200
117 DI6 0.9199
118 1L5 0.9198
119 B85 0.9196
120 173 0.9196
121 258 0.9195
122 N4B 0.9195
123 JAW 0.9193
124 MSR 0.9191
125 DTY 0.9191
126 TU0 0.9189
127 M5H 0.9188
128 6Q3 0.9186
129 TYC 0.9186
130 PIM 0.9185
131 3ZB 0.9184
132 XCG 0.9184
133 PRZ 0.9179
134 4PN 0.9176
135 F4E 0.9176
136 TYL 0.9176
137 YF3 0.9175
138 XQI 0.9172
139 EYV 0.9172
140 BPY 0.9170
141 AS3 0.9168
142 3H2 0.9167
143 K97 0.9166
144 JRB 0.9166
145 CLU 0.9165
146 MQB 0.9161
147 HX4 0.9160
148 6NT 0.9160
149 5NI 0.9159
150 1SV 0.9158
151 MES 0.9157
152 TOM 0.9156
153 N1E 0.9156
154 HIC 0.9155
155 ZON 0.9154
156 9BF 0.9154
157 GB4 0.9153
158 R9S 0.9152
159 4WL 0.9152
160 SHI 0.9151
161 PHI 0.9151
162 TZE 0.9151
163 URO 0.9150
164 OGA 0.9150
165 PJW 0.9149
166 PEA 0.9147
167 S2G 0.9146
168 PCS 0.9146
169 LDP 0.9145
170 TRP 0.9145
171 6NI 0.9141
172 HQJ 0.9141
173 GZ2 0.9141
174 BP7 0.9140
175 9ZE 0.9139
176 FP1 0.9139
177 8NX 0.9138
178 DGL 0.9137
179 2ZM 0.9136
180 C53 0.9135
181 ALE 0.9132
182 FTV 0.9131
183 ARG 0.9129
184 261 0.9128
185 R2P 0.9128
186 6J5 0.9128
187 ZZ2 0.9127
188 HIS 0.9127
189 PBN 0.9126
190 263 0.9126
191 PLP 0.9126
192 PEL 0.9126
193 TSS 0.9125
194 GVY 0.9124
195 EXD 0.9124
196 TMG 0.9124
197 4BY 0.9122
198 TYE 0.9122
199 7VP 0.9120
200 JND 0.9120
201 ZME 0.9119
202 GDE 0.9119
203 IWD 0.9119
204 S8V 0.9117
205 PLR 0.9117
206 ISA 0.9115
207 DAH 0.9115
208 4BL 0.9114
209 PIY 0.9114
210 GGL 0.9114
211 3C4 0.9113
212 BHO 0.9113
213 NIG 0.9113
214 M1Z 0.9112
215 CWD 0.9112
216 4V2 0.9110
217 GLN 0.9107
218 X0V 0.9105
219 PRY 0.9105
220 ENO 0.9105
221 3A9 0.9105
222 2HG 0.9101
223 3LR 0.9100
224 L99 0.9098
225 MXD 0.9096
226 ABF 0.9095
227 N7I 0.9095
228 MPV 0.9093
229 92P 0.9093
230 BSX 0.9093
231 3NY 0.9093
232 KYN 0.9092
233 CFI 0.9091
234 ONL 0.9091
235 0A9 0.9090
236 ISZ 0.9089
237 BWD 0.9089
238 2BG 0.9088
239 52C 0.9088
240 UNJ 0.9088
241 LT1 0.9088
242 XDK 0.9083
243 HY1 0.9083
244 2F6 0.9082
245 MHO 0.9082
246 FAN 0.9082
247 DHI 0.9081
248 NQH 0.9081
249 ARP 0.9080
250 M6H 0.9080
251 0HO 0.9079
252 DTR 0.9078
253 0LH 0.9076
254 J9N 0.9075
255 ONH 0.9073
256 C82 0.9072
257 15N 0.9071
258 HHH 0.9071
259 0BP 0.9070
260 I1E 0.9070
261 X48 0.9069
262 YTX 0.9067
263 ONR 0.9067
264 CXF 0.9067
265 S24 0.9067
266 LL1 0.9066
267 JDN 0.9065
268 SQ4 0.9065
269 PH3 0.9064
270 N3W 0.9061
271 HF2 0.9060
272 FER 0.9060
273 2AL 0.9059
274 DHK 0.9059
275 EN1 0.9059
276 LNR 0.9059
277 36E 0.9058
278 795 0.9053
279 CXH 0.9053
280 B3U 0.9052
281 SNU 0.9050
282 OOG 0.9050
283 8WT 0.9049
284 EGR 0.9049
285 12T 0.9048
286 0JD 0.9047
287 HPT 0.9046
288 1M2 0.9045
289 KYA 0.9045
290 LYS 0.9045
291 KDG 0.9043
292 8U3 0.9038
293 YOF 0.9037
294 3YP 0.9037
295 F34 0.9036
296 INO 0.9036
297 TSR 0.9036
298 D6G 0.9035
299 GWM 0.9035
300 BY5 0.9034
301 HPS 0.9034
302 VXX 0.9033
303 BCU 0.9032
304 8HC 0.9029
305 6DP 0.9029
306 FBM 0.9029
307 7BC 0.9027
308 F9P 0.9027
309 GB5 0.9024
310 HXY 0.9023
311 3AL 0.9023
312 KMY 0.9022
313 JZ4 0.9021
314 4XV 0.9021
315 A29 0.9020
316 RKV 0.9018
317 DHB 0.9016
318 93K 0.9016
319 NLA 0.9015
320 4XF 0.9014
321 MAJ 0.9013
322 V1T 0.9013
323 AMR 0.9013
324 BZE 0.9012
325 C2Y 0.9012
326 FEH 0.9012
327 4OG 0.9011
328 NIZ 0.9009
329 TT4 0.9009
330 EV0 0.9009
331 NAG 0.9008
332 7C3 0.9007
333 6TZ 0.9006
334 ABI 0.9006
335 M4T 0.9004
336 PSJ 0.9004
337 SDD 0.9001
338 271 0.9001
339 2LY 0.9000
340 0NX 0.9000
341 GVG 0.9000
342 E35 0.8999
343 JTH 0.8999
344 XIY 0.8999
345 RLG 0.8999
346 EMZ 0.8999
347 BQ2 0.8996
348 ICO 0.8996
349 TPA 0.8995
350 1BN 0.8993
351 E1T 0.8993
352 N2Z 0.8992
353 DDU 0.8992
354 T2D 0.8991
355 9ON 0.8990
356 428 0.8989
357 SLS 0.8989
358 UN1 0.8989
359 PHU 0.8988
360 49F 0.8987
361 TZF 0.8986
362 MYJ 0.8985
363 2FX 0.8985
364 1X4 0.8985
365 2IT 0.8983
366 SQ7 0.8983
367 3PG 0.8983
368 9UL 0.8982
369 4FA 0.8982
370 DIR 0.8980
371 SSB 0.8979
372 11C 0.8979
373 GZL 0.8979
374 TNX 0.8979
375 F90 0.8978
376 GCO 0.8977
377 2UZ 0.8977
378 RP5 0.8976
379 S7A 0.8976
380 4P5 0.8976
381 SNO 0.8975
382 AEF 0.8973
383 M3E 0.8972
384 GRF 0.8971
385 QBM 0.8970
386 B2J 0.8970
387 M4E 0.8969
388 TIH 0.8968
389 MR1 0.8967
390 4Z9 0.8967
391 PXP 0.8965
392 8NB 0.8965
393 2HO 0.8965
394 I4B 0.8965
395 QIV 0.8964
396 PMP 0.8964
397 RNO 0.8963
398 A5P 0.8962
399 O2Y 0.8962
400 1XA 0.8962
401 FUD 0.8962
402 7ZL 0.8960
403 YRL 0.8959
404 6HP 0.8959
405 4NC 0.8958
406 GLO 0.8955
407 RBJ 0.8954
408 JCZ 0.8953
409 QMP 0.8952
410 AY4 0.8950
411 BPW 0.8949
412 HNL 0.8949
413 J6W 0.8948
414 N8Y 0.8948
415 4ZA 0.8947
416 AEG 0.8946
417 33S 0.8946
418 M74 0.8946
419 4I8 0.8946
420 M45 0.8946
421 2O6 0.8944
422 2LT 0.8944
423 B2Y 0.8942
424 X04 0.8942
425 HHS 0.8941
426 QSH 0.8941
427 54X 0.8940
428 42J 0.8940
429 F69 0.8939
430 5LA 0.8936
431 G6P 0.8936
432 1QP 0.8936
433 0F9 0.8934
434 P9P 0.8934
435 NLE 0.8933
436 M3Q 0.8932
437 TZM 0.8932
438 CEE 0.8931
439 4Z1 0.8928
440 SR1 0.8928
441 XDE 0.8927
442 VNL 0.8926
443 YPN 0.8926
444 GJK 0.8925
445 2FY 0.8925
446 CHB 0.8925
447 M6P 0.8924
448 N2I 0.8924
449 6ZX 0.8924
450 C9E 0.8924
451 ORN 0.8923
452 C1M 0.8921
453 3IL 0.8921
454 BGC 0.8920
455 2HU 0.8920
456 RP3 0.8920
457 68A 0.8919
458 DE5 0.8919
459 5F5 0.8918
460 OSE 0.8918
461 QSB 0.8918
462 E4P 0.8917
463 P58 0.8916
464 14W 0.8915
465 GLP 0.8914
466 JB8 0.8914
467 5XC 0.8913
468 DEE 0.8913
469 4BF 0.8912
470 CUW 0.8911
471 9TW 0.8910
472 FZM 0.8909
473 B4O 0.8909
474 BZ3 0.8908
475 QMS 0.8907
476 B41 0.8907
477 VM1 0.8906
478 XX2 0.8903
479 LYL 0.8903
480 S0D 0.8903
481 HDH 0.8903
482 2QC 0.8903
483 069 0.8903
484 N91 0.8902
485 DZA 0.8902
486 4ME 0.8900
487 LJ3 0.8899
488 M3P 0.8899
489 Z5P 0.8899
490 SEP 0.8898
491 HA5 0.8897
492 4Z3 0.8897
493 HMS 0.8897
494 HNK 0.8894
495 6KT 0.8894
496 1VK 0.8893
497 MPK 0.8892
498 BG6 0.8891
499 S3C 0.8889
500 1SS 0.8889
501 8W9 0.8888
502 KJU 0.8888
503 URC 0.8885
504 3Y7 0.8884
505 9FE 0.8884
506 KP6 0.8883
507 GJZ 0.8882
508 AMH 0.8882
509 EQA 0.8881
510 4XS 0.8881
511 CIY 0.8880
512 7ME 0.8879
513 3VX 0.8879
514 67Y 0.8878
515 GO8 0.8878
516 55D 0.8877
517 GF4 0.8875
518 FHC 0.8874
519 K6H 0.8874
520 JF6 0.8874
521 RUY 0.8874
522 8ZE 0.8874
523 6J9 0.8873
524 ZYQ 0.8873
525 650 0.8872
526 RB5 0.8871
527 CK2 0.8871
528 MD6 0.8870
529 790 0.8870
530 492 0.8869
531 8XL 0.8869
532 SRO 0.8869
533 AHN 0.8868
534 4R1 0.8866
535 2GQ 0.8866
536 DER 0.8865
537 I2E 0.8863
538 L21 0.8863
539 X0U 0.8861
540 C0W 0.8860
541 M3H 0.8860
542 RQD 0.8860
543 LEL 0.8859
544 3LJ 0.8857
545 DEW 0.8855
546 5VL 0.8854
547 DS0 0.8853
548 PLP PMP 0.8852
549 BK9 0.8851
550 80G 0.8851
551 IHB 0.8850
552 5WN 0.8850
553 DGN 0.8850
554 ZYR 0.8850
555 NNH 0.8848
556 8WO 0.8847
557 A6P 0.8846
558 3OL 0.8846
559 XYH 0.8844
560 M6D 0.8843
561 I38 0.8843
562 TL6 0.8843
563 CCV 0.8841
564 692 0.8841
565 F9Y 0.8840
566 5TY 0.8840
567 344 0.8840
568 5RO 0.8839
569 2K8 0.8838
570 KF5 0.8836
571 5RN 0.8834
572 6VD 0.8833
573 3QM 0.8833
574 7MX 0.8833
575 SKF 0.8832
576 SAF 0.8832
577 H7Y 0.8831
578 7O4 0.8830
579 HG3 0.8829
580 FIX 0.8829
581 ODO 0.8828
582 DXG 0.8827
583 RUJ 0.8827
584 SKM 0.8826
585 AEH 0.8825
586 DC5 0.8823
587 6SD 0.8823
588 HHI 0.8822
589 TZP 0.8821
590 GT4 0.8821
591 DYT 0.8820
592 4FE 0.8820
593 EWG 0.8820
594 URS 0.8819
595 KMT 0.8819
596 SG2 0.8818
597 EOL 0.8817
598 DNF 0.8816
599 JR2 0.8815
600 R9Y 0.8814
601 NNO 0.8810
602 1Z6 0.8810
603 LAO 0.8810
604 HJ8 0.8810
605 9R5 0.8809
606 FDR 0.8809
607 PH2 0.8809
608 JF1 0.8808
609 JP2 0.8808
610 MS9 0.8808
611 1WC 0.8807
612 RM1 0.8807
613 LTN 0.8807
614 Y3L 0.8807
615 IYR 0.8806
616 N2M 0.8806
617 ZEC 0.8804
618 JZ7 0.8803
619 K82 0.8801
620 LQ2 0.8800
621 TWO 0.8800
622 EYJ 0.8799
623 3OM 0.8799
624 30G 0.8797
625 ALA ALA 0.8797
626 K80 0.8795
627 E7S 0.8794
628 Q06 0.8793
629 KDV 0.8792
630 833 0.8792
631 EDR 0.8791
632 GJP 0.8790
633 PJL 0.8790
634 OHJ 0.8788
635 49O 0.8787
636 OQC 0.8784
637 512 0.8783
638 9F8 0.8782
639 GXG 0.8782
640 F4K 0.8782
641 PRO GLY 0.8781
642 4A3 0.8780
643 JFJ 0.8780
644 AMS 0.8776
645 KTJ 0.8775
646 OTR 0.8775
647 5WZ 0.8774
648 SSC 0.8774
649 5WU 0.8774
650 D3G 0.8773
651 56D 0.8773
652 HBO 0.8772
653 2BX 0.8771
654 SWX 0.8771
655 L13 0.8770
656 FHB 0.8770
657 ANC 0.8770
658 DXK 0.8769
659 DEZ 0.8767
660 APS 0.8764
661 MET 0.8764
662 9J3 0.8763
663 A9P 0.8762
664 CS2 0.8761
665 EQW 0.8761
666 JG8 0.8760
667 1PS 0.8758
668 UFO 0.8756
669 3R4 0.8755
670 F12 0.8755
671 45L 0.8754
672 S0E 0.8754
673 4TB 0.8751
674 78Y 0.8750
675 OW7 0.8749
676 3BU 0.8746
677 QH3 0.8745
678 XYL 0.8744
679 DAL DAL 0.8741
680 AN3 0.8740
681 GHM 0.8740
682 9FL 0.8738
683 6QF 0.8735
684 HNH 0.8734
685 15E 0.8733
686 KG1 0.8733
687 XFE 0.8733
688 JBZ 0.8732
689 F98 0.8732
690 27B 0.8732
691 L14 0.8731
692 Q04 0.8731
693 EUE 0.8730
694 SLY 0.8730
695 DIN 0.8728
696 2FT 0.8726
697 BGP 0.8723
698 5RP 0.8722
699 KOJ 0.8721
700 7WR 0.8720
701 3D8 0.8719
702 L03 0.8717
703 ANN 0.8716
704 R9J 0.8714
705 SOR 0.8714
706 GNW 0.8714
707 717 0.8713
708 4NB 0.8713
709 M78 0.8713
710 94W 0.8710
711 G14 0.8708
712 2KU 0.8708
713 50C 0.8706
714 8TX 0.8706
715 6ME 0.8704
716 ZIQ 0.8704
717 DXP 0.8703
718 5OY 0.8703
719 4TP 0.8703
720 ZZU 0.8702
721 9CA 0.8701
722 UAN 0.8698
723 QME 0.8698
724 RA7 0.8698
725 RAT 0.8694
726 2CZ 0.8693
727 89J 0.8693
728 8GL 0.8692
729 M6Z 0.8691
730 CAX 0.8690
731 1IT 0.8690
732 MTL 0.8690
733 URP 0.8688
734 AOS 0.8686
735 DUR 0.8685
736 AVI 0.8685
737 F6P 0.8685
738 R1P 0.8684
739 0A1 0.8684
740 BZJ 0.8684
741 GC3 0.8683
742 SOL 0.8682
743 6L6 0.8682
744 3HM 0.8680
745 FGZ 0.8678
746 CC5 0.8677
747 HJ7 0.8676
748 VC3 0.8676
749 2D0 0.8675
750 LIP 0.8675
751 GGB 0.8673
752 LO1 0.8673
753 JLZ 0.8673
754 NF3 0.8673
755 R5P 0.8671
756 K34 0.8670
757 4HB 0.8670
758 FBB 0.8670
759 QIF 0.8667
760 XI7 0.8667
761 DTE 0.8667
762 JPQ 0.8667
763 3VW 0.8666
764 A3M 0.8666
765 W8G 0.8665
766 5GT 0.8663
767 0SY 0.8663
768 APZ 0.8662
769 4RU 0.8660
770 36M 0.8660
771 GXD 0.8660
772 7MU 0.8659
773 BCK 0.8658
774 MOK 0.8657
775 JF2 0.8657
776 3VS 0.8657
777 2FG 0.8656
778 1QV 0.8656
779 M5E 0.8655
780 CK1 0.8655
781 E0O 0.8655
782 GLR 0.8652
783 DNA 0.8650
784 ZHA 0.8649
785 5B2 0.8649
786 3B4 0.8649
787 MF3 0.8648
788 6FB 0.8648
789 1HN 0.8647
790 KUF 0.8647
791 CWS 0.8646
792 B21 0.8646
793 F1X 0.8641
794 A7H 0.8640
795 F31 0.8640
796 BEA 0.8640
797 IPD 0.8640
798 NOK 0.8638
799 S60 0.8638
800 2UD 0.8638
801 78U 0.8637
802 4FP 0.8635
803 B55 0.8634
804 EUG 0.8633
805 NBV 0.8633
806 NLQ 0.8632
807 CCU 0.8630
808 XEN 0.8625
809 SYE 0.8623
810 152 0.8622
811 5OF 0.8622
812 ZZA 0.8622
813 ZRK 0.8620
814 2JJ 0.8618
815 I3E 0.8618
816 MRW 0.8618
817 AH8 0.8617
818 K3Q 0.8616
819 F40 0.8614
820 PYU 0.8614
821 IPO 0.8613
822 7UC 0.8613
823 2D2 0.8610
824 DHR 0.8610
825 4KL 0.8609
826 K25 0.8609
827 1AL 0.8609
828 5OB 0.8605
829 LFC 0.8604
830 5SP 0.8604
831 CTE 0.8602
832 P4L 0.8602
833 AM1 0.8601
834 44V 0.8601
835 F5C 0.8597
836 H5B 0.8595
837 4MU 0.8594
838 2D8 0.8594
839 IV2 0.8590
840 6RQ 0.8588
841 0FR 0.8587
842 3VQ 0.8587
843 API 0.8581
844 GOJ 0.8580
845 CKA 0.8580
846 PUE 0.8578
847 HHR 0.8577
848 X11 0.8576
849 S7J 0.8575
850 NPL 0.8572
851 5TZ 0.8572
852 RCV 0.8571
853 DRG 0.8569
854 5O6 0.8568
855 NBG 0.8565
856 ERZ 0.8565
857 209 0.8565
858 E3X 0.8562
859 TA6 0.8562
860 GNM 0.8561
861 4A5 0.8557
862 39O 0.8556
863 FBF 0.8554
864 7I2 0.8553
865 BZQ 0.8549
866 BL0 0.8548
867 RBL 0.8541
868 C4E 0.8539
869 OKG 0.8532
870 3SU 0.8531
871 K2T 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
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