Receptor
PDB id Resolution Class Description Source Keywords
1OYF 2.45 Å EC: 3.1.1.4 CRYSTAL STRUCTURE OF RUSSELLES VIPER (DABOIA RUSSELLII PULCHELLA) PHOSPHOLIPASE A2 IN A COMPLEX WITH VENOM 6- M ETHYL HEPTANOL DABOIA RUSSELLII PULCHELLA PHOSPHOLIPASE A2 COMPLEX CATALYSIS INHIBITION HYDROLASE
Ref.: CRYSTAL STRUCTURE OF RUSSELLES VIPER (DABOIA RUSSELLII PULCHELLA) PHOSPHOLIPASE A2 IN A COMPLEX WITH VENOM 6-METHYL HEPTANOL TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:3001;
 Invalid;
 none;
 submit data
60.052 C2 H4 O2 CC(=O...
MHN A:1001;
B:1002;
 Valid;
Valid;
 none;
none;
 submit data
130.228 C8 H18 O CC(C)...
SO4 A:2001;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OYF 2.45 Å EC: 3.1.1.4 CRYSTAL STRUCTURE OF RUSSELLES VIPER (DABOIA RUSSELLII PULCHELLA) PHOSPHOLIPASE A2 IN A COMPLEX WITH VENOM 6- M ETHYL HEPTANOL DABOIA RUSSELLII PULCHELLA PHOSPHOLIPASE A2 COMPLEX CATALYSIS INHIBITION HYDROLASE
Ref.: CRYSTAL STRUCTURE OF RUSSELLES VIPER (DABOIA RUSSELLII PULCHELLA) PHOSPHOLIPASE A2 IN A COMPLEX WITH VENOM 6-METHYL HEPTANOL TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 1OYF - MHN C8 H18 O CC(C)CCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1OYF - MHN C8 H18 O CC(C)CCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1OYF - MHN C8 H18 O CC(C)CCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MHN; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 MHN 1 1
2 9JE 0.428571 0.625
3 HEZ 0.428571 0.6
4 M12 0.411765 0.72
5 ODI 0.409091 0.6
Similar Ligands (3D)
Ligand no: 1; Ligand: MHN; Similar ligands found: 224
No: Ligand Similarity coefficient
1 AG2 1.0000
2 KQY 0.9871
3 HPN 0.9806
4 N6C 0.9729
5 ACA 0.9638
6 6XA 0.9612
7 PG0 0.9548
8 SHV 0.9542
9 OCT 0.9519
10 OCA 0.9494
11 HE4 0.9492
12 LYN 0.9474
13 OC9 0.9472
14 LYS 0.9464
15 OEG 0.9446
16 GLU 0.9429
17 HTX 0.9421
18 9J3 0.9409
19 ONH 0.9402
20 ORN 0.9382
21 7C3 0.9377
22 AE3 0.9369
23 DLY 0.9365
24 AKG 0.9361
25 0L1 0.9357
26 BHL 0.9349
27 BHL BHL 0.9349
28 GUA 0.9347
29 16D 0.9346
30 7BC 0.9342
31 OGA 0.9335
32 0VT 0.9332
33 6NA 0.9329
34 GPJ 0.9321
35 GLY GLY 0.9315
36 650 0.9311
37 MLZ 0.9308
38 011 0.9303
39 OYA 0.9298
40 GLN 0.9286
41 CCU 0.9261
42 GPF 0.9257
43 NSD 0.9243
44 13P 0.9241
45 5XA 0.9234
46 DGN 0.9227
47 ARG 0.9223
48 SPD 0.9221
49 UN1 0.9204
50 266 0.9204
51 3OL 0.9203
52 HP6 0.9196
53 LUQ 0.9189
54 NLE 0.9186
55 7UC 0.9178
56 SHO 0.9177
57 7XA 0.9175
58 HE2 0.9174
59 1GP 0.9172
60 49F 0.9169
61 GP9 0.9160
62 MHO 0.9158
63 CCD 0.9153
64 ENW 0.9148
65 CHH 0.9147
66 AT3 0.9147
67 S2G 0.9138
68 3S5 0.9138
69 GGL 0.9136
70 OOG 0.9134
71 DGL 0.9131
72 G3H 0.9127
73 G3P 0.9123
74 VKC 0.9118
75 DHM 0.9115
76 HPL 0.9109
77 4TB 0.9106
78 LTL 0.9106
79 DAV 0.9103
80 MET 0.9102
81 3YP 0.9100
82 64Z 0.9094
83 ONL 0.9088
84 NTU 0.9087
85 TEG 0.9080
86 SLZ 0.9078
87 KMH 0.9074
88 MEQ 0.9073
89 4LR 0.9073
90 11C 0.9071
91 2HG 0.9071
92 BHH 0.9070
93 GVA 0.9067
94 2CO 0.9066
95 S8V 0.9065
96 SSB 0.9064
97 D10 0.9052
98 AHN 0.9050
99 9GB 0.9050
100 3PG 0.9049
101 RJY 0.9049
102 PGH 0.9048
103 9ON 0.9046
104 KPC 0.9039
105 OKG 0.9039
106 1HS 0.9037
107 GOJ 0.9036
108 URO 0.9035
109 IXW 0.9035
110 TCA 0.9034
111 DZA 0.9033
112 RTK 0.9032
113 KMT 0.9027
114 2FM 0.9027
115 3HG 0.9025
116 FOM 0.9022
117 X1R 0.9013
118 J9N 0.9011
119 DIR 0.9006
120 2IT 0.8997
121 GRQ 0.8997
122 AL0 0.8995
123 SME 0.8995
124 NMH 0.8990
125 HSO 0.8988
126 N4B 0.8985
127 K6V 0.8985
128 XIZ 0.8983
129 DE5 0.8983
130 YIV 0.8973
131 ENV 0.8968
132 PML 0.8962
133 NM2 0.8961
134 CLT 0.8960
135 URP 0.8958
136 PBN 0.8952
137 AJ3 0.8949
138 7OD 0.8945
139 MSE 0.8938
140 O8Y 0.8929
141 I38 0.8927
142 BNF 0.8923
143 HCI 0.8923
144 HGA 0.8921
145 MED 0.8921
146 DIA 0.8918
147 PBA 0.8910
148 EOU 0.8910
149 HL5 0.8909
150 EXY 0.8905
151 XRG 0.8894
152 3H2 0.8891
153 MPJ 0.8888
154 CIR 0.8888
155 NWH 0.8881
156 B3M 0.8879
157 HC4 0.8877
158 BHU 0.8873
159 258 0.8867
160 NM3 0.8866
161 ZGL 0.8864
162 NNH 0.8860
163 9YT 0.8857
164 LPA 0.8850
165 TIU 0.8850
166 Q9Z 0.8848
167 GGB 0.8844
168 O45 0.8844
169 HL4 0.8842
170 NPI 0.8839
171 NF3 0.8837
172 NYL 0.8834
173 4SD 0.8831
174 PG3 0.8824
175 E4P 0.8815
176 268 0.8814
177 8SZ 0.8808
178 1N5 0.8807
179 DAR 0.8807
180 TYL 0.8807
181 FXY 0.8803
182 MF3 0.8803
183 FK8 0.8802
184 CUW 0.8801
185 264 0.8797
186 N8C 0.8796
187 R9M 0.8796
188 KNA 0.8795
189 HPO 0.8792
190 N9J 0.8791
191 M1T 0.8786
192 CXP 0.8782
193 492 0.8781
194 3LR 0.8758
195 MLY 0.8752
196 KDG 0.8747
197 LT1 0.8746
198 P81 0.8733
199 MPH 0.8733
200 LVD 0.8731
201 8AC 0.8724
202 IWT 0.8722
203 PRA 0.8718
204 YPN 0.8715
205 HPP 0.8711
206 JX7 0.8707
207 DKA 0.8706
208 ILO 0.8698
209 PO6 0.8695
210 YZM 0.8689
211 PRO GLY 0.8681
212 GLY GLY GLY 0.8673
213 6HN 0.8668
214 2JJ 0.8668
215 1H1 0.8657
216 9J6 0.8652
217 DDW 0.8627
218 HX4 0.8625
219 5OY 0.8612
220 M45 0.8607
221 1KA 0.8602
222 BPW 0.8578
223 M6H 0.8541
224 1L5 0.8529
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OYF; Ligand: MHN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1oyf.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1OYF; Ligand: MHN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1oyf.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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