Receptor
PDB id Resolution Class Description Source Keywords
2WBQ 1.1 Å EC: 1.14.11.41 CRYSTAL STRUCTURE OF VIOC IN COMPLEX WITH (2S,3S)- HYDROXYARGININE STREPTOMYCES VINACEUS OXIDOREDUCTASE NON-HEME FE(II) HYDROXYLASE CBETA- HYDROXYLATION L-ARGININE OXYGENASE NRPS VIOMYCIN ALPHA-KETOGLUTARATE
Ref.: STRUCTURAL BASIS FOR THE ERYTHRO-STEREOSPECIFICITY OF THE L-ARGININE OXYGENASE VIOC IN VIOMYCIN BIOSYNTHESIS. FEBS J. V. 276 3669 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1357;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
ZZU A:1358;
Valid;
none;
submit data
190.2 C6 H14 N4 O3 C(CNC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WBQ 1.1 Å EC: 1.14.11.41 CRYSTAL STRUCTURE OF VIOC IN COMPLEX WITH (2S,3S)- HYDROXYARGININE STREPTOMYCES VINACEUS OXIDOREDUCTASE NON-HEME FE(II) HYDROXYLASE CBETA- HYDROXYLATION L-ARGININE OXYGENASE NRPS VIOMYCIN ALPHA-KETOGLUTARATE
Ref.: STRUCTURAL BASIS FOR THE ERYTHRO-STEREOSPECIFICITY OF THE L-ARGININE OXYGENASE VIOC IN VIOMYCIN BIOSYNTHESIS. FEBS J. V. 276 3669 2009
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6DAX - HRG C7 H16 N4 O2 C(CCNC(=N)....
2 2WBO - TLA C4 H6 O6 [C@@H]([C@....
3 6ALP - SIN C4 H6 O4 C(CC(=O)O)....
4 2WBP - SIN C4 H6 O4 C(CC(=O)O)....
5 6ALO - OKG C4 H5 O5 C(CC(=O)O[....
6 6MP9 - JX7 C6 H11 N3 O3 [H]/N=C(/N....
7 6ALM - AKG C5 H6 O5 C(CC(=O)O)....
8 6Y0N - AKG C5 H6 O5 C(CC(=O)O)....
9 6DB2 - SIN C4 H6 O4 C(CC(=O)O)....
10 6ALN - AKG C5 H6 O5 C(CC(=O)O)....
11 6ALQ - SIN C4 H6 O4 C(CC(=O)O)....
12 6MP8 - DAR C6 H15 N4 O2 C(C[C@H](C....
13 6DAZ - SIN C4 H6 O4 C(CC(=O)O)....
14 6ALR - SIN C4 H6 O4 C(CC(=O)O)....
15 6Y12 - ZZU C6 H14 N4 O3 C(CNC(=N)N....
16 2WBQ - ZZU C6 H14 N4 O3 C(CNC(=N)N....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6DAX - HRG C7 H16 N4 O2 C(CCNC(=N)....
2 2WBO - TLA C4 H6 O6 [C@@H]([C@....
3 6ALP - SIN C4 H6 O4 C(CC(=O)O)....
4 2WBP - SIN C4 H6 O4 C(CC(=O)O)....
5 6ALO - OKG C4 H5 O5 C(CC(=O)O[....
6 6MP9 - JX7 C6 H11 N3 O3 [H]/N=C(/N....
7 6ALM - AKG C5 H6 O5 C(CC(=O)O)....
8 6Y0N - AKG C5 H6 O5 C(CC(=O)O)....
9 6DB2 - SIN C4 H6 O4 C(CC(=O)O)....
10 6ALN - AKG C5 H6 O5 C(CC(=O)O)....
11 6ALQ - SIN C4 H6 O4 C(CC(=O)O)....
12 6MP8 - DAR C6 H15 N4 O2 C(C[C@H](C....
13 6DAZ - SIN C4 H6 O4 C(CC(=O)O)....
14 6ALR - SIN C4 H6 O4 C(CC(=O)O)....
15 6Y12 - ZZU C6 H14 N4 O3 C(CNC(=N)N....
16 2WBQ - ZZU C6 H14 N4 O3 C(CNC(=N)N....
50% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6DAX - HRG C7 H16 N4 O2 C(CCNC(=N)....
2 2WBO - TLA C4 H6 O6 [C@@H]([C@....
3 6ALP - SIN C4 H6 O4 C(CC(=O)O)....
4 2WBP - SIN C4 H6 O4 C(CC(=O)O)....
5 6ALO - OKG C4 H5 O5 C(CC(=O)O[....
6 6MP9 - JX7 C6 H11 N3 O3 [H]/N=C(/N....
7 6ALM - AKG C5 H6 O5 C(CC(=O)O)....
8 6Y0N - AKG C5 H6 O5 C(CC(=O)O)....
9 6DB2 - SIN C4 H6 O4 C(CC(=O)O)....
10 6ALN - AKG C5 H6 O5 C(CC(=O)O)....
11 6ALQ - SIN C4 H6 O4 C(CC(=O)O)....
12 6MP8 - DAR C6 H15 N4 O2 C(C[C@H](C....
13 6DAZ - SIN C4 H6 O4 C(CC(=O)O)....
14 6ALR - SIN C4 H6 O4 C(CC(=O)O)....
15 6Y12 - ZZU C6 H14 N4 O3 C(CNC(=N)N....
16 2WBQ - ZZU C6 H14 N4 O3 C(CNC(=N)N....
17 6DAW - ARG C6 H15 N4 O2 C(C[C@@H](....
18 4M2G - 2OR C6 H15 N4 O4 C([C@H]([C....
19 4M26 - ZZU C6 H14 N4 O3 C(CNC(=N)N....
20 4M2E - HRG C7 H16 N4 O2 C(CCNC(=N)....
21 4M2C - DAR C6 H15 N4 O2 C(C[C@H](C....
22 4M25 - AKG C5 H6 O5 C(CC(=O)O)....
23 4M2F - GGB C5 H12 N4 O3 [H]/N=C(N)....
24 4M27 - ARG C6 H15 N4 O2 C(C[C@@H](....
25 4NE0 - SIN C4 H6 O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ZZU; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 ZZU 1 1
2 G3M 0.65 0.947368
3 CUW 0.45 0.763158
4 HRG 0.422222 0.794872
Similar Ligands (3D)
Ligand no: 1; Ligand: ZZU; Similar ligands found: 303
No: Ligand Similarity coefficient
1 ARG 0.9621
2 MLY 0.9580
3 GGB 0.9495
4 2OR 0.9483
5 CIR 0.9478
6 DAR 0.9410
7 NPI 0.9381
8 EXY 0.9367
9 API 0.9363
10 MLZ 0.9354
11 M3L 0.9260
12 E8U 0.9230
13 5TO 0.9223
14 GVA 0.9201
15 ENW 0.9194
16 UN1 0.9181
17 1PS 0.9176
18 DHC 0.9146
19 DA3 0.9136
20 58X 0.9136
21 ENV 0.9130
22 DMA 0.9127
23 SZ7 0.9118
24 PML 0.9118
25 NMM 0.9106
26 26P 0.9103
27 6HN 0.9101
28 ILO 0.9094
29 9YT 0.9093
30 HAR 0.9085
31 DLT 0.9072
32 LVD 0.9069
33 6C5 0.9060
34 GRQ 0.9056
35 3H2 0.9054
36 0QA 0.9051
37 TEG 0.9049
38 O45 0.9048
39 LL2 0.9045
40 JX7 0.9041
41 6C4 0.9034
42 HC4 0.9024
43 3GZ 0.9015
44 WT2 0.9007
45 IAR 0.9001
46 PAU 0.8995
47 64Z 0.8994
48 GLY GLY GLY 0.8993
49 IVL 0.8990
50 CS2 0.8989
51 DHH 0.8986
52 FB6 0.8984
53 2NP 0.8980
54 P81 0.8977
55 8SZ 0.8976
56 LPA 0.8976
57 11C 0.8973
58 EGV 0.8972
59 OJD 0.8968
60 C82 0.8967
61 NFA 0.8965
62 DXP 0.8963
63 LYS 0.8962
64 ONH 0.8958
65 9J6 0.8957
66 NNH 0.8955
67 S0F 0.8953
68 HPP 0.8953
69 OOG 0.8951
70 HLP 0.8950
71 4JK 0.8945
72 9VQ 0.8944
73 PA5 0.8944
74 TYR 0.8940
75 L06 0.8940
76 Z70 0.8939
77 AHL 0.8936
78 HX8 0.8930
79 SB7 0.8929
80 IPE 0.8923
81 DED 0.8920
82 AHN 0.8918
83 XI7 0.8915
84 XOG 0.8913
85 5PV 0.8911
86 NOT 0.8910
87 LZ5 0.8907
88 11X 0.8900
89 DST 0.8899
90 SOJ 0.8898
91 4TB 0.8896
92 RGP 0.8896
93 VUR 0.8890
94 3KJ 0.8890
95 AHC 0.8890
96 ENO 0.8887
97 4FP 0.8885
98 6FG 0.8884
99 J9Y 0.8878
100 A5P 0.8876
101 OCA 0.8875
102 DA2 0.8874
103 0A9 0.8872
104 DEZ 0.8871
105 8GL 0.8869
106 2FM 0.8868
107 6C9 0.8859
108 PHE 0.8859
109 DER 0.8858
110 5LD 0.8856
111 Q06 0.8855
112 M1T 0.8846
113 LGT 0.8846
114 GLU 0.8843
115 LPB 0.8843
116 RP5 0.8837
117 LLH 0.8835
118 KYN 0.8835
119 SNR 0.8834
120 7UC 0.8831
121 6FR 0.8830
122 M3P 0.8830
123 3VR 0.8827
124 I2E 0.8824
125 KPC 0.8821
126 MJ5 0.8821
127 HIS 0.8821
128 6C8 0.8819
129 PBN 0.8816
130 MF3 0.8815
131 BL0 0.8810
132 GNW 0.8810
133 E4P 0.8809
134 5RP 0.8809
135 2O8 0.8808
136 DAH 0.8805
137 GLR 0.8804
138 7XA 0.8803
139 EFF 0.8801
140 4TP 0.8797
141 YIE 0.8797
142 PMV 0.8796
143 FPL 0.8795
144 ALE 0.8794
145 TYE 0.8792
146 G6Q 0.8792
147 TX4 0.8790
148 5UK 0.8788
149 T03 0.8787
150 LX1 0.8785
151 5KJ 0.8785
152 IPR 0.8783
153 ALY 0.8780
154 KNA 0.8780
155 DLY 0.8779
156 HCI 0.8779
157 R5P 0.8778
158 R52 0.8778
159 C53 0.8777
160 SX2 0.8776
161 SSC 0.8772
162 848 0.8770
163 HXY 0.8768
164 KPV 0.8767
165 HGA 0.8766
166 R10 0.8765
167 N9J 0.8764
168 DNN 0.8763
169 2JJ 0.8763
170 RP3 0.8762
171 NWH 0.8760
172 PRO GLY 0.8759
173 DTY 0.8759
174 4ZD 0.8754
175 TOH 0.8752
176 0L1 0.8752
177 A51 0.8752
178 DXG 0.8750
179 IOP 0.8750
180 HSX 0.8749
181 TZM 0.8746
182 AKG 0.8746
183 B3U 0.8745
184 BHU 0.8745
185 TZP 0.8742
186 LUQ 0.8738
187 TCA 0.8736
188 P93 0.8733
189 P3S 0.8730
190 E79 0.8729
191 HL4 0.8728
192 PO6 0.8728
193 F98 0.8727
194 XRX 0.8725
195 Q9Z 0.8725
196 CH8 0.8725
197 011 0.8724
198 CLT 0.8722
199 RES 0.8719
200 KDG 0.8717
201 B41 0.8714
202 HFA 0.8713
203 2J3 0.8712
204 NFZ 0.8710
205 HSA 0.8709
206 GAE 0.8709
207 F06 0.8707
208 JF5 0.8706
209 EIP 0.8702
210 GGG 0.8702
211 P7Y 0.8702
212 IJ6 0.8698
213 TMG 0.8696
214 MGB 0.8695
215 S0W 0.8693
216 6ZX 0.8692
217 LYN 0.8691
218 PFF 0.8691
219 3YP 0.8691
220 P4F 0.8691
221 HPO 0.8689
222 DPN 0.8689
223 PPY 0.8685
224 PBA 0.8685
225 Q04 0.8683
226 EQW 0.8681
227 DIR 0.8680
228 M6H 0.8678
229 P80 0.8678
230 5SP 0.8675
231 F63 0.8674
232 SOR 0.8674
233 CXP 0.8673
234 LTN 0.8670
235 F90 0.8668
236 QBM 0.8667
237 SPD 0.8667
238 TYC 0.8666
239 5OY 0.8664
240 K4V 0.8663
241 F6P 0.8663
242 363 0.8663
243 FOM 0.8661
244 0A1 0.8660
245 DX5 0.8656
246 PPN 0.8654
247 7OD 0.8651
248 M6P 0.8650
249 3PG 0.8649
250 36M 0.8648
251 3QO 0.8647
252 MD6 0.8643
253 PPT 0.8642
254 NMH 0.8640
255 1BN 0.8638
256 DZA 0.8636
257 9BF 0.8636
258 JZA 0.8635
259 BPW 0.8634
260 94X 0.8633
261 650 0.8633
262 JPQ 0.8633
263 SSB 0.8633
264 OHJ 0.8627
265 YOF 0.8627
266 K80 0.8627
267 5WZ 0.8626
268 DHM 0.8625
269 EQA 0.8625
270 QH3 0.8612
271 22F 0.8612
272 37E 0.8611
273 GZ2 0.8607
274 MJW 0.8607
275 TPM 0.8607
276 3IP 0.8601
277 5O6 0.8601
278 TB8 0.8597
279 REL 0.8594
280 EXG 0.8592
281 N8C 0.8588
282 D6P 0.8586
283 LXP 0.8585
284 IYR 0.8581
285 MMS 0.8580
286 6N4 0.8580
287 1OV 0.8578
288 HDL 0.8576
289 DKA 0.8575
290 3CX 0.8575
291 G88 0.8574
292 5DS 0.8571
293 HJ7 0.8569
294 GO8 0.8564
295 0F3 0.8553
296 3VQ 0.8553
297 IBP 0.8552
298 1YO 0.8546
299 3VW 0.8533
300 GO2 0.8532
301 STX 0.8530
302 TIH 0.8528
303 HBU 0.8504
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WBQ; Ligand: ZZU; Similar sites found with APoc: 15
This union binding pocket(no: 1) in the query (biounit: 2wbq.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1NX4 AKG 5.66802
2 1NX4 AKG 5.66802
3 1NX4 AKG 5.66802
4 4OJ8 AKG 5.92885
5 6F6J CUW 37.1508
6 6F6J SIN 37.1508
7 6F6J CUW 37.1508
8 6F6J SIN 37.1508
9 6F6J SIN 37.1508
10 6F6J CUW 37.1508
11 6F6J SIN 37.1508
12 6EXF LYS 38.2682
13 1DRY AAG 39.6648
14 1DRY AKG 39.6648
15 2OG7 SIN 40.056
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