Receptor
PDB id Resolution Class Description Source Keywords
3L24 2.3 Å EC: 3.4.13.9 CRYSTAL STRUCTURE OF THE NERVE AGENT DEGRADING ORGANOPHOSPHATE ANHYDROLASE/PROLIDASE IN COMPLEX WITH I NHIBITORS ALTEROMONAS SP. PITA-BREAD DETOXIFICATION DIPEPTIDASE HYDROLASE MANGANESE METAL-BINDING METALLOPROTEASE PROTEASE
Ref.: STRUCTURAL INSIGHTS INTO THE DUAL ACTIVITIES OF THE NERVE AGENT DEGRADING ORGANOPHOSPHATE ANHYDROLASE/PROLIDASE. BIOCHEMISTRY V. 49 547 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOA A:521;
B:522;
C:521;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
76.051 C2 H4 O3 C(C(=...
MN A:518;
A:519;
A:520;
B:518;
B:519;
B:520;
B:521;
C:518;
C:519;
C:520;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3L24 2.3 Å EC: 3.4.13.9 CRYSTAL STRUCTURE OF THE NERVE AGENT DEGRADING ORGANOPHOSPHATE ANHYDROLASE/PROLIDASE IN COMPLEX WITH I NHIBITORS ALTEROMONAS SP. PITA-BREAD DETOXIFICATION DIPEPTIDASE HYDROLASE MANGANESE METAL-BINDING METALLOPROTEASE PROTEASE
Ref.: STRUCTURAL INSIGHTS INTO THE DUAL ACTIVITIES OF THE NERVE AGENT DEGRADING ORGANOPHOSPHATE ANHYDROLASE/PROLIDASE. BIOCHEMISTRY V. 49 547 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3L24 - GOA C2 H4 O3 C(C(=O)O)O
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4ZWP - M44 C6 H17 N2 O2 P CC(C)NP(=O....
2 4ZWO - GOA C2 H4 O3 C(C(=O)O)O
3 4ZWU - GOA C2 H4 O3 C(C(=O)O)O
4 3L24 - GOA C2 H4 O3 C(C(=O)O)O
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4ZWP - M44 C6 H17 N2 O2 P CC(C)NP(=O....
2 4ZWO - GOA C2 H4 O3 C(C(=O)O)O
3 4ZWU - GOA C2 H4 O3 C(C(=O)O)O
4 3L24 - GOA C2 H4 O3 C(C(=O)O)O
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GOA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GOA 1 1
2 2HA 0.538462 0.619048
3 3PY 0.533333 0.636364
4 3OH 0.533333 0.7
5 MCR 0.5 0.764706
Similar Ligands (3D)
Ligand no: 1; Ligand: GOA; Similar ligands found: 247
No: Ligand Similarity coefficient
1 GLV 1.0000
2 ATO 1.0000
3 2A1 1.0000
4 61G 1.0000
5 HAE 1.0000
6 MGX 1.0000
7 NHY 1.0000
8 AGU 1.0000
9 NMU 1.0000
10 ALA 1.0000
11 TSZ 1.0000
12 J3K 1.0000
13 PPI 1.0000
14 FAH 1.0000
15 GLY 1.0000
16 F50 1.0000
17 NIE 1.0000
18 F3V 1.0000
19 HVB 1.0000
20 2A3 1.0000
21 AKR 1.0000
22 R3W 0.9986
23 BXA 0.9930
24 1BP 0.9910
25 BRP 0.9858
26 PXO 0.9835
27 CP2 0.9823
28 GOL 0.9811
29 6SP 0.9806
30 OXM 0.9797
31 1CB 0.9794
32 GXV 0.9785
33 GBL 0.9785
34 ACT 0.9749
35 AOA 0.9743
36 BAQ 0.9730
37 ATQ 0.9728
38 TCV 0.9705
39 NIS 0.9705
40 OXL 0.9681
41 3TR 0.9677
42 MZY 0.9675
43 3MT 0.9673
44 LAC 0.9670
45 2OP 0.9670
46 2AI 0.9652
47 HGY 0.9651
48 1MZ 0.9650
49 2MZ 0.9649
50 HBS 0.9645
51 NAK 0.9644
52 HOW 0.9644
53 BU4 0.9639
54 BUA 0.9635
55 AMT 0.9635
56 MR3 0.9635
57 OXD 0.9632
58 4MZ 0.9629
59 TRI 0.9626
60 HBR 0.9624
61 BAL 0.9623
62 3ZS 0.9613
63 DAL 0.9609
64 3GR 0.9604
65 PYR 0.9603
66 5KX 0.9603
67 ACM 0.9599
68 BMD 0.9597
69 PZO 0.9596
70 SAR 0.9596
71 ALQ 0.9589
72 MEU 0.9586
73 AF3 0.9577
74 3CL 0.9572
75 78T 0.9570
76 PYM 0.9568
77 BUO 0.9567
78 BUQ 0.9567
79 IMD 0.9554
80 9A4 0.9552
81 5MP 0.9549
82 HUH 0.9548
83 IPA 0.9545
84 JZ6 0.9541
85 BEF 0.9541
86 ETF 0.9536
87 MMU 0.9519
88 EDO 0.9510
89 2PO 0.9508
90 AXO 0.9495
91 SEY 0.9494
92 5Y9 0.9492
93 ALF 0.9489
94 ABA 0.9479
95 BYZ 0.9469
96 ES3 0.9447
97 XAP 0.9438
98 MTG 0.9419
99 CYS 0.9402
100 PYZ 0.9393
101 BUB 0.9376
102 CRD 0.9352
103 TAN 0.9347
104 3BB 0.9317
105 TF4 0.9313
106 13D 0.9312
107 EGD 0.9309
108 SLP 0.9308
109 ITU 0.9308
110 HSW 0.9306
111 KCS 0.9300
112 P1R 0.9299
113 D2P 0.9294
114 0PY 0.9294
115 03W 0.9279
116 DGY 0.9279
117 BNZ 0.9278
118 CNH 0.9276
119 QPT 0.9272
120 NOE 0.9271
121 SER 0.9270
122 TB0 0.9266
123 1AC 0.9265
124 THR 0.9259
125 OSM 0.9254
126 B20 0.9253
127 0CL 0.9252
128 BXO 0.9243
129 7EX 0.9243
130 DE2 0.9241
131 PHZ 0.9237
132 BRJ 0.9236
133 CYH 0.9233
134 CXL 0.9233
135 HYN 0.9229
136 VSO 0.9228
137 HSL 0.9226
138 A2Q 0.9222
139 MZ0 0.9222
140 HIU 0.9216
141 HUI 0.9216
142 HAI 0.9209
143 4AX 0.9208
144 SMB 0.9202
145 2RA 0.9198
146 XIX 0.9197
147 DSN 0.9194
148 FPO 0.9182
149 2HP 0.9182
150 TMO 0.9179
151 CEJ 0.9177
152 DBB 0.9166
153 A3B 0.9166
154 9A7 0.9162
155 KG7 0.9151
156 3BR 0.9151
157 MSF 0.9131
158 DXX 0.9131
159 2KT 0.9130
160 KSW 0.9130
161 03S 0.9128
162 MB3 0.9127
163 L60 0.9119
164 MMZ 0.9117
165 FW5 0.9116
166 V1L 0.9112
167 2IM 0.9110
168 25T 0.9101
169 MMQ 0.9094
170 TBU 0.9087
171 IPH 0.9084
172 39J 0.9081
173 2PA 0.9079
174 PRI 0.9076
175 24T 0.9071
176 9PO 0.9070
177 2AP 0.9067
178 HVK 0.9067
179 LGA 0.9067
180 93B 0.9058
181 FUS 0.9057
182 BF4 0.9053
183 DMI 0.9049
184 DTI 0.9047
185 MCH 0.9045
186 VN4 0.9042
187 GB 0.9041
188 HRZ 0.9036
189 NVI 0.9036
190 MBN 0.9026
191 3AP 0.9023
192 CHT 0.9020
193 4AP 0.9016
194 FJO 0.9011
195 BVC 0.9007
196 WOT 0.9002
197 E60 0.9002
198 MTD 0.9000
199 PO4 0.8999
200 1SP 0.8998
201 GXE 0.8993
202 1DH 0.8991
203 DCE 0.8987
204 BVG 0.8986
205 PIH 0.8984
206 8FH 0.8983
207 C2N 0.8976
208 PUT 0.8973
209 DCY 0.8945
210 MLA 0.8942
211 MLI 0.8942
212 TTO 0.8941
213 8CL 0.8939
214 C5J 0.8926
215 HVQ 0.8919
216 HHN 0.8919
217 DMG 0.8918
218 BTL 0.8916
219 2EZ 0.8907
220 ETM 0.8904
221 TAY 0.8895
222 XPO 0.8876
223 HGW 0.8873
224 WO6 0.8871
225 2HE 0.8869
226 ART 0.8868
227 9XN 0.8866
228 DSS 0.8866
229 PPF 0.8856
230 HV2 0.8855
231 HLT 0.8845
232 8X3 0.8840
233 ETX 0.8837
234 IVA 0.8823
235 TAU 0.8798
236 3HL 0.8790
237 COM 0.8777
238 MLM 0.8756
239 3HR 0.8748
240 AAE 0.8742
241 P7I 0.8731
242 9SB 0.8706
243 PEJ 0.8693
244 POA 0.8685
245 P2D 0.8616
246 280 0.8597
247 EFS 0.8585
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3L24; Ligand: GOA; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 3l24.bio3) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 7A16 HZE 2.42588
2 5JR6 01B PRO PRO ALA NH2 20.1161
3 6A9T GLY 26.5934
Pocket No.: 2; Query (leader) PDB : 3L24; Ligand: GOA; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 3l24.bio3) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5JR6 01B PRO PRO ALA NH2 20.1161
2 6A9T GLY 26.5934
Pocket No.: 3; Query (leader) PDB : 3L24; Ligand: GOA; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 3l24.bio3) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 5JR6 01B PRO PRO ALA NH2 20.1161
2 6A9T GLY 26.5934
Pocket No.: 4; Query (leader) PDB : 3L24; Ligand: GOA; Similar sites found with APoc: 2
This union binding pocket(no: 4) in the query (biounit: 3l24.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5JR6 01B PRO PRO ALA NH2 20.1161
2 6A9T GLY 26.5934
Pocket No.: 5; Query (leader) PDB : 3L24; Ligand: GOA; Similar sites found with APoc: 2
This union binding pocket(no: 5) in the query (biounit: 3l24.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 5JR6 01B PRO PRO ALA NH2 20.1161
2 6A9T GLY 26.5934
Pocket No.: 6; Query (leader) PDB : 3L24; Ligand: GOA; Similar sites found with APoc: 2
This union binding pocket(no: 6) in the query (biounit: 3l24.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 7A16 HZE 2.42588
2 5JR6 01B PRO PRO ALA NH2 20.1161
Pocket No.: 7; Query (leader) PDB : 3L24; Ligand: GOA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3l24.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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