Receptor
PDB id Resolution Class Description Source Keywords
5U55 2.45 Å EC: 1.11.1.23 PSF4 IN COMPLEX WITH MN2+ AND (S)-2-HPP PSEUDOMONAS SYRINGAE FOSFOMYCIN EPOXIDASE OXIDASE OXIDOREDUCTASE
Ref.: CHARACTERIZATION OF TWO LATE-STAGE ENZYMES INVOLVED FOSFOMYCIN BIOSYNTHESIS IN PSEUDOMONADS. ACS CHEM. BIOL. V. 12 456 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
S0H D:302;
C:302;
A:302;
B:302;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
140.075 C3 H9 O4 P C[C@@...
MN B:301;
C:301;
D:301;
A:301;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 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
5U55 2.45 Å EC: 1.11.1.23 PSF4 IN COMPLEX WITH MN2+ AND (S)-2-HPP PSEUDOMONAS SYRINGAE FOSFOMYCIN EPOXIDASE OXIDASE OXIDOREDUCTASE
Ref.: CHARACTERIZATION OF TWO LATE-STAGE ENZYMES INVOLVED FOSFOMYCIN BIOSYNTHESIS IN PSEUDOMONADS. ACS CHEM. BIOL. V. 12 456 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5U55 - S0H C3 H9 O4 P C[C@@H](CP....
2 5U5D - TB6 C3 H9 O4 P C[C@H](CP(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5U55 - S0H C3 H9 O4 P C[C@@H](CP....
2 5U5D - TB6 C3 H9 O4 P C[C@H](CP(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5U55 - S0H C3 H9 O4 P C[C@@H](CP....
2 5U5D - TB6 C3 H9 O4 P C[C@H](CP(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: S0H; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 TB6 1 1
2 S0H 1 1
3 GG6 0.409091 0.758621
Similar Ligands (3D)
Ligand no: 1; Ligand: S0H; Similar ligands found: 395
No: Ligand Similarity coefficient
1 PCT 1.0000
2 7VD 1.0000
3 CP 1.0000
4 XLS 1.0000
5 FCN 0.9969
6 PAE 0.9939
7 MPD 0.9894
8 SAT 0.9777
9 LLQ 0.9706
10 MLA 0.9625
11 POP 0.9617
12 2HE 0.9614
13 MLI 0.9613
14 COM 0.9608
15 OPE 0.9593
16 P7I 0.9587
17 PPV 0.9580
18 PGA 0.9580
19 TAU 0.9574
20 XPO 0.9567
21 VX 0.9564
22 IVA 0.9543
23 8X3 0.9540
24 PAH 0.9536
25 CHT 0.9534
26 POA 0.9523
27 2PN 0.9510
28 1DQ 0.9493
29 JYD 0.9484
30 A20 0.9471
31 PIS 0.9471
32 ETM 0.9460
33 ASN 0.9452
34 MDN 0.9443
35 EFS 0.9436
36 BTL 0.9431
37 AAE 0.9429
38 X1S 0.9426
39 3HR 0.9425
40 C5J 0.9420
41 ASP 0.9409
42 3PP 0.9401
43 FJO 0.9394
44 DMG 0.9393
45 9SB 0.9376
46 SIN 0.9370
47 BAE 0.9368
48 HX2 0.9353
49 LMR 0.9351
50 PAF 0.9348
51 FLA 0.9346
52 T2C 0.9328
53 IPU 0.9323
54 H95 0.9318
55 FUM 0.9314
56 MLM 0.9312
57 SHF 0.9308
58 P2D 0.9307
59 2PC 0.9306
60 DPR 0.9306
61 3HL 0.9305
62 CIZ 0.9303
63 MAE 0.9303
64 2RH 0.9299
65 ODV 0.9284
66 DMV 0.9277
67 THE 0.9267
68 HV2 0.9264
69 DAS 0.9263
70 LEU 0.9254
71 TFS 0.9245
72 TEO 0.9234
73 CRN 0.9228
74 PRO 0.9226
75 KIV 0.9213
76 HZP 0.9209
77 G2H 0.9202
78 3PY 0.9202
79 DCL 0.9200
80 SMV 0.9198
81 PYC 0.9196
82 PRS 0.9195
83 JBN 0.9192
84 IHG 0.9182
85 O7U 0.9178
86 PPF 0.9177
87 COI 0.9172
88 CMS 0.9170
89 PEP 0.9167
90 FOA 0.9158
91 HYP 0.9152
92 NMG 0.9151
93 HIO 0.9148
94 HDA 0.9148
95 ABU 0.9147
96 VAL 0.9144
97 MAK 0.9144
98 LER 0.9143
99 3SL 0.9141
100 TFB 0.9138
101 265 0.9137
102 1SA 0.9132
103 XBT 0.9131
104 1SH 0.9125
105 NXA 0.9124
106 GZ3 0.9121
107 9X6 0.9120
108 TZC 0.9119
109 1GP 0.9116
110 4MV 0.9111
111 MLT 0.9107
112 PMB 0.9101
113 THR 0.9097
114 JAB 0.9090
115 MRY 0.9090
116 VAH 0.9089
117 ALO 0.9088
118 C21 0.9086
119 1Y8 0.9084
120 SSN 0.9084
121 PPR 0.9076
122 98J 0.9075
123 G3P 0.9072
124 G3H 0.9072
125 LEA 0.9071
126 TP5 0.9069
127 40E 0.9069
128 0V5 0.9060
129 6PC 0.9060
130 CEJ 0.9055
131 SRT 0.9055
132 FB2 0.9054
133 13P 0.9050
134 273 0.9050
135 PEQ 0.9047
136 1SP 0.9047
137 1DU 0.9044
138 UY7 0.9035
139 SS2 0.9029
140 SGL 0.9027
141 DGL 0.9025
142 YCP 0.9024
143 TZL 0.9024
144 ZBT 0.9024
145 R67 0.9018
146 FBJ 0.9017
147 ACH 0.9016
148 ITN 0.9012
149 TLA 0.9007
150 JZ5 0.9003
151 8K2 0.8995
152 IQ0 0.8988
153 OAA 0.8984
154 FMS 0.8984
155 GLY ALA 0.8978
156 DTL 0.8970
157 BAL 0.8967
158 BVG 0.8964
159 54D 0.8962
160 XYL 0.8954
161 RB5 0.8954
162 MSF 0.8950
163 4JU 0.8949
164 2MH 0.8949
165 J1Z 0.8948
166 1DV 0.8946
167 NIO 0.8944
168 SPV 0.8944
169 URA 0.8942
170 MRZ 0.8940
171 KPL 0.8940
172 KG7 0.8940
173 AKB 0.8937
174 M6W 0.8933
175 1AC 0.8932
176 BNS 0.8930
177 HSE 0.8928
178 NCA 0.8928
179 TAY 0.8928
180 2KT 0.8922
181 PZA 0.8920
182 BUA 0.8919
183 PGH 0.8914
184 DSN 0.8913
185 QSC 0.8913
186 BEZ 0.8908
187 XUL 0.8908
188 IZC 0.8906
189 NBZ 0.8906
190 FW5 0.8904
191 BU4 0.8903
192 1CO 0.8893
193 DGY 0.8892
194 03W 0.8892
195 5AC 0.8890
196 QDK 0.8888
197 FSG 0.8887
198 DAB 0.8886
199 PG3 0.8884
200 BAM 0.8883
201 282 0.8882
202 PBE 0.8882
203 BUQ 0.8879
204 NVI 0.8879
205 ICF 0.8879
206 M58 0.8878
207 TAR 0.8875
208 AC0 0.8873
209 3OH 0.8872
210 BMD 0.8872
211 HSM 0.8870
212 SKG 0.8869
213 GLU 0.8868
214 ILE 0.8867
215 PCA 0.8867
216 SAR 0.8866
217 GAG 0.8866
218 AHB 0.8865
219 2AS 0.8865
220 MZ0 0.8862
221 MLE 0.8862
222 SER 0.8861
223 IOM 0.8860
224 0OC 0.8860
225 DSS 0.8857
226 BEN 0.8857
227 23W 0.8856
228 284 0.8854
229 DE2 0.8853
230 HIU 0.8847
231 NVA 0.8845
232 DXX 0.8843
233 192 0.8843
234 SPA 0.8841
235 OXL 0.8841
236 ABA 0.8835
237 SYN 0.8831
238 HCS 0.8830
239 FQI 0.8829
240 MZW 0.8826
241 AMC 0.8825
242 PLQ 0.8825
243 E60 0.8822
244 UNU 0.8819
245 BXO 0.8814
246 MTG 0.8814
247 A3B 0.8814
248 HVQ 0.8809
249 HSW 0.8808
250 24T 0.8805
251 BUB 0.8804
252 VGL 0.8800
253 2EZ 0.8800
254 MPI 0.8800
255 RSF 0.8797
256 RBL 0.8794
257 AOA 0.8794
258 SLP 0.8792
259 GP9 0.8790
260 URQ 0.8788
261 HBX 0.8785
262 GLN 0.8785
263 EGD 0.8784
264 PUT 0.8783
265 AC5 0.8781
266 ABN 0.8781
267 CNH 0.8780
268 XRG 0.8779
269 BVC 0.8773
270 MEV 0.8772
271 RP7 0.8771
272 ECE 0.8768
273 NTN 0.8767
274 GBD 0.8767
275 CYS 0.8766
276 HY3 0.8763
277 JZ9 0.8763
278 QFH 0.8762
279 FPN 0.8760
280 IND 0.8760
281 FPY 0.8759
282 1MR 0.8758
283 URP 0.8754
284 DEN 0.8754
285 PBC 0.8753
286 FEH 0.8752
287 GVH 0.8752
288 A09 0.8750
289 HQE 0.8750
290 DBB 0.8750
291 0CT 0.8749
292 LZ1 0.8747
293 0R1 0.8747
294 PYJ 0.8747
295 4HA 0.8743
296 APY 0.8740
297 IDM 0.8740
298 BZI 0.8739
299 ORN 0.8739
300 CRS 0.8739
301 2RA 0.8737
302 HPY 0.8737
303 C2N 0.8735
304 60P 0.8734
305 MXN 0.8734
306 14J 0.8734
307 DS0 0.8733
308 BZF 0.8730
309 ETX 0.8728
310 ITU 0.8727
311 I2M 0.8726
312 TNE 0.8720
313 OXQ 0.8719
314 GUA 0.8718
315 UYA 0.8716
316 HUI 0.8715
317 OHG 0.8712
318 OK7 0.8712
319 9CL 0.8710
320 HGQ 0.8705
321 HSO 0.8701
322 AHR 0.8701
323 PY7 0.8700
324 PRI 0.8699
325 6M4 0.8698
326 B24 0.8695
327 BP9 0.8694
328 ICN 0.8691
329 3BB 0.8689
330 GLY GLY 0.8685
331 DA1 0.8683
332 XAP 0.8680
333 CFI 0.8678
334 PE9 0.8678
335 DCY 0.8675
336 PLU 0.8675
337 MMQ 0.8675
338 2CO 0.8674
339 VSO 0.8669
340 DUC 0.8668
341 23B 0.8667
342 TMH 0.8666
343 3CH 0.8666
344 IDH 0.8664
345 2PG 0.8663
346 OXD 0.8661
347 7WG 0.8660
348 RSO 0.8659
349 SMB 0.8656
350 39J 0.8654
351 CSS 0.8643
352 CAQ 0.8640
353 URF 0.8639
354 AKG 0.8639
355 RCO 0.8638
356 2IM 0.8632
357 CXL 0.8630
358 FBV 0.8628
359 MTD 0.8617
360 ISU 0.8617
361 NBE 0.8610
362 4CH 0.8605
363 WBU 0.8603
364 CYT 0.8600
365 FPI 0.8600
366 YHO 0.8598
367 HAI 0.8594
368 HBA 0.8594
369 PTO 0.8593
370 TSU 0.8593
371 1DJ 0.8591
372 FAN 0.8590
373 TAN 0.8588
374 TB0 0.8588
375 RHU 0.8584
376 HIS 0.8582
377 A2Q 0.8576
378 911 0.8570
379 MED 0.8568
380 CYH 0.8565
381 RUU 0.8562
382 BML 0.8561
383 MNN 0.8561
384 MUC 0.8560
385 26D 0.8559
386 LG3 0.8559
387 RMN 0.8557
388 R8A 0.8556
389 TZE 0.8553
390 HY1 0.8549
391 C2A 0.8546
392 BEW 0.8541
393 JZ3 0.8539
394 MET 0.8533
395 SEP 0.8526
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5U55; Ligand: S0H; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 5u55.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 6B9T 2HE 22.1053
2 6B9T 2HE 22.1053
3 6B9R 2HE 33.6842
4 6B9R 2HE 33.6842
Pocket No.: 2; Query (leader) PDB : 5U55; Ligand: S0H; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 5u55.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 6B9T 2HE 22.1053
2 6B9T 2HE 22.1053
3 6B9R 2HE 33.6842
Pocket No.: 3; Query (leader) PDB : 5U55; Ligand: S0H; Similar sites found with APoc: 3
This union binding pocket(no: 3) in the query (biounit: 5u55.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 6B9T 2HE 22.1053
2 6B9T 2HE 22.1053
3 6B9R 2HE 33.6842
Pocket No.: 4; Query (leader) PDB : 5U55; Ligand: S0H; Similar sites found with APoc: 8
This union binding pocket(no: 4) in the query (biounit: 5u55.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 6B9T 2HE 22.1053
2 6B9T 2HE 22.1053
3 6B9T 2HE 22.1053
4 6B9T 2HE 22.1053
5 6B9T 2HE 22.1053
6 6B9T 2HE 22.1053
7 6B9R 2HE 33.6842
8 3SCH TB6 36.3158
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