Receptor
PDB id Resolution Class Description Source Keywords
3P81 1.2 Å EC: 1.6.99.1 PENTAERYTHRITOL TETRANITRATE REDUCTASE CO-CRYSTAL STRUCTURE A BOUND (E)-1-(4'-HYDROXYPHENYL)-2-NITROETHENE MOLECULE 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...
P81 A:402;
 Valid;
 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: P81; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 P81 1 1
2 NS8 0.527778 0.766667
3 P80 0.47619 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: P81; Similar ligands found: 670
No: Ligand Similarity coefficient
1 HPP 1.0000
2 HC4 1.0000
3 S0W 0.9964
4 TCA 0.9736
5 HCI 0.9712
6 PO6 0.9684
7 XIZ 0.9646
8 DHC 0.9616
9 EN1 0.9613
10 5OO 0.9592
11 92G 0.9590
12 TYE 0.9562
13 GVY 0.9546
14 GB5 0.9541
15 ENO 0.9531
16 TYR 0.9530
17 LVD 0.9506
18 A5E 0.9497
19 6ZX 0.9496
20 5LA 0.9494
21 F90 0.9494
22 CPZ 0.9468
23 XCG 0.9466
24 LO1 0.9450
25 F4K 0.9447
26 P7Y 0.9439
27 TYC 0.9431
28 4BF 0.9431
29 C82 0.9426
30 2HC 0.9425
31 N9J 0.9422
32 PBA 0.9422
33 PPY 0.9416
34 36Y 0.9413
35 DTY 0.9408
36 PFF 0.9406
37 CFA 0.9403
38 JAH 0.9402
39 AOT 0.9395
40 4BY 0.9394
41 ALE 0.9389
42 OOG 0.9387
43 MSR 0.9384
44 SNU 0.9382
45 80G 0.9381
46 QIV 0.9380
47 TMG 0.9375
48 DAH 0.9375
49 4FE 0.9370
50 LSQ 0.9367
51 YZM 0.9367
52 HXY 0.9366
53 2QC 0.9363
54 PH3 0.9361
55 FZM 0.9361
56 3ZB 0.9358
57 S8V 0.9358
58 GVA 0.9352
59 BPW 0.9342
60 MP5 0.9341
61 363 0.9337
62 GB4 0.9335
63 4LW 0.9334
64 JBZ 0.9334
65 TYL 0.9333
66 2FX 0.9317
67 UNJ 0.9316
68 X48 0.9316
69 EQW 0.9311
70 E4P 0.9310
71 I2E 0.9306
72 PHI 0.9306
73 SOJ 0.9304
74 TZF 0.9302
75 ESX 0.9295
76 1L5 0.9285
77 ESP 0.9279
78 6KT 0.9279
79 HX4 0.9279
80 3VS 0.9276
81 F4E 0.9267
82 C1M 0.9266
83 4BL 0.9263
84 SWX 0.9263
85 4LV 0.9262
86 MMS 0.9257
87 GZ2 0.9256
88 URO 0.9256
89 JA5 0.9255
90 NFM 0.9254
91 7BC 0.9253
92 VC3 0.9251
93 GO2 0.9251
94 1X4 0.9249
95 M6H 0.9247
96 S0D 0.9247
97 NFA 0.9244
98 5O6 0.9242
99 E3X 0.9239
100 UN1 0.9239
101 PHE 0.9238
102 PBN 0.9238
103 428 0.9231
104 JCZ 0.9226
105 PRA 0.9224
106 OHJ 0.9221
107 NYL 0.9221
108 BNF 0.9220
109 ZEC 0.9220
110 6SD 0.9217
111 Y3L 0.9211
112 AHN 0.9211
113 7O4 0.9210
114 F06 0.9207
115 BZ2 0.9205
116 268 0.9205
117 BP7 0.9205
118 J6W 0.9200
119 ICB 0.9199
120 PLP 0.9196
121 650 0.9186
122 BNL 0.9184
123 SSB 0.9182
124 TB8 0.9178
125 AKG 0.9176
126 4BX 0.9176
127 YPN 0.9171
128 MF3 0.9170
129 QME 0.9170
130 1FE 0.9169
131 RP3 0.9167
132 795 0.9162
133 AEF 0.9158
134 61M 0.9151
135 LYS 0.9146
136 GGB 0.9140
137 6J5 0.9139
138 S7S 0.9138
139 DPN 0.9138
140 CXH 0.9136
141 IYR 0.9136
142 RA7 0.9135
143 FER 0.9134
144 AMR 0.9133
145 LDP 0.9132
146 GT4 0.9132
147 ARG 0.9131
148 3H2 0.9127
149 GJK 0.9126
150 N91 0.9120
151 ENW 0.9119
152 4HB 0.9119
153 36M 0.9116
154 HIC 0.9116
155 GWM 0.9112
156 4WL 0.9109
157 11C 0.9109
158 3R4 0.9108
159 A7H 0.9107
160 B1J 0.9104
161 FF2 0.9103
162 1F1 0.9100
163 M1T 0.9100
164 DAR 0.9099
165 LR8 0.9099
166 TOH 0.9098
167 CIR 0.9098
168 YRL 0.9098
169 7OD 0.9097
170 OQC 0.9097
171 PQM 0.9092
172 657 0.9090
173 6FZ 0.9086
174 C53 0.9081
175 OGA 0.9081
176 492 0.9076
177 I3E 0.9076
178 HFA 0.9073
179 EVF 0.9073
180 BQ2 0.9072
181 KTW 0.9069
182 N4E 0.9068
183 88L 0.9067
184 B40 0.9067
185 RKV 0.9066
186 2FM 0.9065
187 3VX 0.9065
188 3VQ 0.9063
189 K7M 0.9062
190 258 0.9062
191 EYV 0.9059
192 J9N 0.9058
193 FTV 0.9057
194 5RP 0.9053
195 RES 0.9053
196 BRH 0.9052
197 4FP 0.9051
198 0BP 0.9051
199 AEG 0.9051
200 ESI 0.9050
201 4I8 0.9048
202 A51 0.9047
203 UA5 0.9047
204 IPO 0.9046
205 6P3 0.9045
206 4CF 0.9044
207 1A7 0.9044
208 HSX 0.9041
209 IAC 0.9041
210 4XF 0.9040
211 Q06 0.9039
212 8NB 0.9038
213 LZ5 0.9035
214 PML 0.9034
215 9ZE 0.9032
216 LT1 0.9030
217 3YP 0.9030
218 PIM 0.9029
219 0NX 0.9028
220 R9J 0.9026
221 IOS 0.9026
222 SYE 0.9026
223 KMY 0.9024
224 IWT 0.9023
225 X0U 0.9022
226 IOP 0.9020
227 49F 0.9020
228 TID 0.9019
229 S7A 0.9019
230 HL4 0.9018
231 JMG 0.9017
232 PIY 0.9017
233 4FA 0.9014
234 TZP 0.9013
235 833 0.9013
236 ODK 0.9013
237 2PK 0.9012
238 L03 0.9011
239 HWD 0.9011
240 DZA 0.9010
241 1Z6 0.9008
242 OTR 0.9007
243 R52 0.9004
244 DEZ 0.9004
245 R5P 0.9004
246 KLS 0.9004
247 56D 0.9003
248 PQS 0.9002
249 MPV 0.9002
250 ONH 0.9000
251 HNK 0.8999
252 JB8 0.8999
253 KLE 0.8998
254 C9M 0.8990
255 QBM 0.8989
256 DER 0.8988
257 HNL 0.8988
258 M3H 0.8988
259 ERZ 0.8987
260 9NB 0.8987
261 LGT 0.8984
262 RNO 0.8979
263 94W 0.8979
264 IS2 0.8978
265 R2P 0.8978
266 ZZU 0.8977
267 K82 0.8977
268 7VP 0.8975
269 36E 0.8974
270 PLR 0.8973
271 N1E 0.8971
272 6FB 0.8968
273 JDN 0.8966
274 SLS 0.8964
275 HIS 0.8964
276 SNO 0.8964
277 1PS 0.8963
278 4HP 0.8961
279 0HN 0.8961
280 DHI 0.8961
281 HJH 0.8960
282 QBP 0.8960
283 HNT 0.8959
284 M45 0.8958
285 S2G 0.8957
286 0UL 0.8956
287 50C 0.8956
288 6FG 0.8955
289 SSC 0.8954
290 14W 0.8950
291 64Z 0.8949
292 N7I 0.8948
293 RBJ 0.8947
294 6N4 0.8947
295 7MW 0.8946
296 8D6 0.8946
297 G14 0.8945
298 4Z1 0.8945
299 42J 0.8944
300 2BX 0.8944
301 YIP 0.8944
302 GLN 0.8943
303 NF3 0.8940
304 0L1 0.8940
305 EUE 0.8940
306 9BF 0.8939
307 EQA 0.8939
308 0JD 0.8938
309 FMQ 0.8937
310 XDK 0.8937
311 5TY 0.8937
312 L22 0.8936
313 4NS 0.8936
314 K97 0.8935
315 HDH 0.8934
316 CWJ 0.8933
317 4NP 0.8930
318 DHY 0.8928
319 PLP PMP 0.8927
320 2JX 0.8927
321 2PV 0.8925
322 1M2 0.8925
323 DE5 0.8925
324 NAG 0.8925
325 LQ2 0.8924
326 HHI 0.8923
327 4TP 0.8923
328 K80 0.8921
329 5SP 0.8921
330 R20 0.8921
331 27K 0.8920
332 BL0 0.8920
333 6C9 0.8920
334 XIY 0.8920
335 S0E 0.8919
336 E1T 0.8919
337 TU0 0.8918
338 6NT 0.8916
339 GLU 0.8915
340 CUW 0.8914
341 7R4 0.8913
342 5VU 0.8913
343 AJ1 0.8913
344 CH9 0.8912
345 2HG 0.8912
346 5H6 0.8912
347 EUH 0.8912
348 CIY 0.8910
349 MXD 0.8909
350 PNP 0.8908
351 2D2 0.8908
352 TRP 0.8906
353 78Y 0.8906
354 Q04 0.8905
355 G6P 0.8905
356 0SY 0.8904
357 AES 0.8904
358 2ZM 0.8903
359 XI7 0.8902
360 M5H 0.8902
361 ABF 0.8902
362 8U3 0.8900
363 A7N 0.8900
364 Z70 0.8898
365 A5P 0.8898
366 4P5 0.8898
367 6C8 0.8896
368 C4E 0.8895
369 PRO GLY 0.8895
370 4AF 0.8895
371 A6W 0.8893
372 ZZA 0.8892
373 ANN 0.8891
374 4NB 0.8888
375 KYN 0.8888
376 H4E 0.8888
377 4ZA 0.8887
378 2IT 0.8887
379 DGL 0.8887
380 BVA 0.8886
381 K4V 0.8886
382 15N 0.8885
383 2K8 0.8884
384 1A5 0.8883
385 GLP 0.8882
386 2BG 0.8881
387 2JJ 0.8881
388 SOR 0.8881
389 6C5 0.8880
390 7FU 0.8880
391 RCV 0.8880
392 011 0.8879
393 11X 0.8879
394 LNR 0.8876
395 TIH 0.8875
396 2P3 0.8872
397 DGN 0.8869
398 6NI 0.8863
399 RSV 0.8863
400 AZM 0.8862
401 KTJ 0.8862
402 SKF 0.8862
403 0HO 0.8861
404 BVS 0.8861
405 MD6 0.8860
406 8XL 0.8860
407 AN3 0.8860
408 HG3 0.8858
409 OLU 0.8857
410 9R5 0.8857
411 0XR 0.8856
412 4Z3 0.8856
413 KDG 0.8853
414 P9E 0.8849
415 3C4 0.8848
416 JGB 0.8848
417 ZHA 0.8846
418 SB7 0.8846
419 LJ3 0.8846
420 JPQ 0.8845
421 3NY 0.8844
422 M4N 0.8843
423 NFZ 0.8842
424 1EB 0.8842
425 2LT 0.8842
426 BG6 0.8841
427 SX2 0.8841
428 68A 0.8840
429 FYR 0.8839
430 S2P 0.8838
431 ZRK 0.8838
432 JX7 0.8837
433 5TT 0.8836
434 FHC 0.8836
435 4R1 0.8836
436 FWD 0.8835
437 ENV 0.8835
438 12T 0.8835
439 AWE 0.8833
440 6TZ 0.8831
441 A5H 0.8830
442 EE8 0.8828
443 0FR 0.8827
444 8ZE 0.8826
445 5E5 0.8824
446 0K7 0.8822
447 AAN 0.8821
448 5S9 0.8821
449 U13 0.8821
450 5TO 0.8821
451 DVQ 0.8820
452 N2I 0.8819
453 P93 0.8818
454 505 0.8816
455 AJG 0.8815
456 RP5 0.8813
457 JAW 0.8813
458 MTL 0.8812
459 X1R 0.8811
460 GLO 0.8809
461 HNH 0.8807
462 KDV 0.8807
463 4FF 0.8806
464 D6G 0.8805
465 4V2 0.8805
466 3A9 0.8804
467 STT 0.8803
468 PJW 0.8803
469 6MW 0.8802
470 5WN 0.8802
471 F5C 0.8801
472 LL1 0.8799
473 4Z9 0.8798
474 NY4 0.8795
475 SHI 0.8794
476 6Q3 0.8793
477 3OL 0.8791
478 M78 0.8790
479 ZYQ 0.8790
480 A6P 0.8788
481 LR5 0.8788
482 MAJ 0.8788
483 PNZ 0.8787
484 68B 0.8787
485 4MB 0.8785
486 CWD 0.8784
487 API 0.8783
488 PMP 0.8783
489 3PG 0.8783
490 DI6 0.8783
491 HHS 0.8782
492 HHH 0.8782
493 F18 0.8780
494 4NZ 0.8778
495 6C4 0.8774
496 1KN 0.8773
497 CCU 0.8772
498 ZSP 0.8769
499 3VW 0.8767
500 2HU 0.8766
501 TEG 0.8763
502 L5V 0.8763
503 KF5 0.8761
504 5NI 0.8761
505 BPY 0.8760
506 AG2 0.8760
507 GOJ 0.8759
508 8V8 0.8756
509 X04 0.8755
510 2O8 0.8754
511 CS2 0.8753
512 PRL 0.8752
513 PAC 0.8752
514 LEL 0.8751
515 ABI 0.8751
516 BWD 0.8751
517 MJW 0.8749
518 52C 0.8748
519 FBF 0.8747
520 PUE 0.8747
521 ORN 0.8746
522 3AE 0.8743
523 AVX 0.8743
524 PHU 0.8743
525 FCW 0.8742
526 8NX 0.8742
527 54E 0.8742
528 4FC 0.8740
529 EXD 0.8739
530 AOY 0.8737
531 M28 0.8736
532 L15 0.8736
533 M4E 0.8734
534 MHN 0.8733
535 DDU 0.8733
536 1BW 0.8731
537 D3G 0.8730
538 AMQ 0.8730
539 AMH 0.8729
540 7N8 0.8726
541 PH2 0.8726
542 OCA 0.8724
543 GF4 0.8723
544 IWD 0.8722
545 FHV 0.8722
546 92P 0.8719
547 9GB 0.8717
548 4CM 0.8716
549 RD4 0.8716
550 5XA 0.8715
551 5B2 0.8715
552 S7J 0.8715
553 3W8 0.8713
554 4AU 0.8711
555 HQJ 0.8710
556 6HP 0.8710
557 GJZ 0.8709
558 27B 0.8708
559 TSS 0.8707
560 TZM 0.8706
561 VM1 0.8704
562 OJD 0.8704
563 GO8 0.8701
564 LR2 0.8700
565 V1T 0.8700
566 CK2 0.8698
567 MET 0.8694
568 PEA 0.8694
569 CLU 0.8694
570 6HO 0.8694
571 K7H 0.8693
572 PIQ 0.8691
573 AM4 0.8688
574 N2M 0.8687
575 E7S 0.8687
576 M4T 0.8687
577 5WZ 0.8686
578 A5Q 0.8678
579 EZL 0.8674
580 4CN 0.8673
581 2GQ 0.8672
582 FOM 0.8672
583 YTX 0.8671
584 9JT 0.8670
585 BPN 0.8668
586 3SU 0.8665
587 YIE 0.8665
588 HA5 0.8662
589 H4B 0.8661
590 MS9 0.8661
591 NAL 0.8658
592 DHR 0.8657
593 0VT 0.8656
594 97T 0.8656
595 MPK 0.8655
596 ODO 0.8653
597 0DF 0.8651
598 9UL 0.8649
599 BZQ 0.8649
600 OKG 0.8648
601 5GT 0.8645
602 0FK 0.8644
603 TGX 0.8643
604 HJ7 0.8643
605 KQY 0.8643
606 3HG 0.8642
607 AX3 0.8642
608 0W1 0.8641
609 J9Q 0.8640
610 8WO 0.8638
611 28A 0.8638
612 5XC 0.8638
613 HSO 0.8637
614 152 0.8634
615 M6P 0.8633
616 KBZ 0.8631
617 ANC 0.8630
618 RVE 0.8629
619 FDR 0.8628
620 4BZ 0.8625
621 H7Y 0.8625
622 HPN 0.8623
623 4RU 0.8620
624 B85 0.8620
625 86L 0.8619
626 AMS 0.8618
627 7EH 0.8616
628 CHQ 0.8616
629 N2Z 0.8614
630 E5X 0.8614
631 1HN 0.8614
632 GJP 0.8612
633 YI6 0.8612
634 6L6 0.8610
635 1VK 0.8610
636 SEP 0.8608
637 3OM 0.8605
638 5F5 0.8605
639 BZE 0.8603
640 26P 0.8602
641 344 0.8600
642 FQX 0.8596
643 A29 0.8596
644 M3P 0.8595
645 S7D 0.8591
646 3D8 0.8589
647 259 0.8588
648 PXP 0.8588
649 JRB 0.8588
650 NIZ 0.8587
651 JND 0.8579
652 EOU 0.8576
653 BGU 0.8574
654 9FH 0.8571
655 DUR 0.8571
656 SN4 0.8571
657 6QF 0.8568
658 1XS 0.8567
659 28B 0.8564
660 HBO 0.8554
661 1IT 0.8553
662 FCD 0.8552
663 549 0.8550
664 9FE 0.8547
665 F40 0.8543
666 ITE 0.8540
667 ISZ 0.8535
668 4JE 0.8524
669 HPS 0.8520
670 ZIP 0.8510
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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