Receptor
PDB id Resolution Class Description Source Keywords
3SCH 2.1 Å EC: 1.14.-.- CO(II)-HPPE WITH R-HPP STREPTOMYCES WEDMORENSIS CUPIN-FOLD HYDROXYPROPYLPHOSPHONIC ACID EPOXIDASE MONONUCLHEME IRON METAL BINDING PROTEIN
Ref.: STRUCTURAL BASIS OF REGIOSPECIFICITY OF A MONONUCLE ENZYME IN ANTIBIOTIC FOSFOMYCIN BIOSYNTHESIS. J.AM.CHEM.SOC. V. 133 11262 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO A:201;
B:200;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
58.933 Co [Co+2...
TB6 A:199;
B:199;
 Valid;
Valid;
 none;
none;
 submit data
140.075 C3 H9 O4 P C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SCH 2.1 Å EC: 1.14.-.- CO(II)-HPPE WITH R-HPP STREPTOMYCES WEDMORENSIS CUPIN-FOLD HYDROXYPROPYLPHOSPHONIC ACID EPOXIDASE MONONUCLHEME IRON METAL BINDING PROTEIN
Ref.: STRUCTURAL BASIS OF REGIOSPECIFICITY OF A MONONUCLE ENZYME IN ANTIBIOTIC FOSFOMYCIN BIOSYNTHESIS. J.AM.CHEM.SOC. V. 133 11262 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3SCH - TB6 C3 H9 O4 P C[C@H](CP(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3SCH - TB6 C3 H9 O4 P C[C@H](CP(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 3SCH - TB6 C3 H9 O4 P C[C@H](CP(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TB6; 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: TB6; Similar ligands found: 392
No: Ligand Similarity coefficient
1 CP 1.0000
2 MPD 0.9943
3 PCT 0.9940
4 7VD 0.9901
5 PAE 0.9865
6 SAT 0.9793
7 FCN 0.9717
8 CHT 0.9634
9 TAU 0.9611
10 OPE 0.9608
11 VX 0.9598
12 2HE 0.9596
13 8X3 0.9568
14 POP 0.9567
15 COM 0.9561
16 PPV 0.9547
17 PGA 0.9528
18 A20 0.9527
19 XPO 0.9526
20 EFS 0.9523
21 MLA 0.9523
22 P7I 0.9522
23 2PN 0.9518
24 LLQ 0.9507
25 MLI 0.9495
26 IVA 0.9494
27 ETM 0.9486
28 POA 0.9445
29 PIS 0.9441
30 3PP 0.9428
31 PAH 0.9422
32 C5J 0.9417
33 MDN 0.9414
34 MLM 0.9388
35 FJO 0.9386
36 AAE 0.9380
37 ODV 0.9370
38 MAE 0.9369
39 3HL 0.9356
40 IPU 0.9355
41 TFS 0.9355
42 3HR 0.9340
43 SIN 0.9337
44 DMG 0.9327
45 OAA 0.9319
46 1DQ 0.9319
47 4MV 0.9316
48 HV2 0.9303
49 P2D 0.9301
50 FSG 0.9293
51 PRO 0.9290
52 HX2 0.9288
53 ASN 0.9284
54 9SB 0.9278
55 BTL 0.9278
56 DTL 0.9270
57 ASP 0.9268
58 SHF 0.9262
59 BAE 0.9256
60 G2H 0.9249
61 2PC 0.9243
62 T2C 0.9238
63 SSN 0.9236
64 FLA 0.9233
65 PRS 0.9220
66 THE 0.9208
67 X1S 0.9208
68 PAF 0.9200
69 SER 0.9167
70 FUM 0.9164
71 ITN 0.9164
72 TFB 0.9161
73 HZP 0.9159
74 DCL 0.9148
75 DAS 0.9142
76 O7U 0.9140
77 IHG 0.9135
78 THR 0.9133
79 CEJ 0.9129
80 1GP 0.9128
81 LER 0.9127
82 LEU 0.9126
83 HSE 0.9121
84 CIZ 0.9113
85 PPR 0.9111
86 CYS 0.9111
87 1SA 0.9110
88 ALO 0.9107
89 NMG 0.9104
90 HYP 0.9102
91 3PY 0.9099
92 ILE 0.9097
93 IQ0 0.9095
94 3SL 0.9090
95 9X6 0.9087
96 1Y8 0.9087
97 1DV 0.9085
98 H95 0.9081
99 FMS 0.9079
100 CRN 0.9078
101 IOM 0.9078
102 2RH 0.9077
103 23W 0.9076
104 HDA 0.9074
105 HIO 0.9073
106 PEQ 0.9073
107 0V5 0.9073
108 LEA 0.9071
109 XBT 0.9066
110 PYC 0.9066
111 273 0.9064
112 ICF 0.9063
113 FW5 0.9063
114 2MH 0.9059
115 KIV 0.9059
116 4JU 0.9059
117 VAH 0.9057
118 PPF 0.9055
119 G3P 0.9051
120 13P 0.9047
121 G3H 0.9041
122 TZC 0.9041
123 VAL 0.9038
124 BAL 0.9036
125 TEO 0.9035
126 MLT 0.9034
127 SMB 0.9033
128 MRY 0.9025
129 DE2 0.9022
130 PEP 0.9021
131 3V4 0.9021
132 ABU 0.9016
133 39J 0.9015
134 DSS 0.9014
135 SMV 0.9010
136 HUI 0.9010
137 SRT 0.9009
138 LMR 0.9006
139 XLS 0.9005
140 JBN 0.9003
141 TZL 0.9002
142 ZBT 0.9002
143 MAK 0.8992
144 HPY 0.8989
145 JZ5 0.8983
146 COI 0.8975
147 BUA 0.8974
148 GZ3 0.8974
149 KG7 0.8972
150 TAY 0.8972
151 C21 0.8969
152 DSN 0.8967
153 DPR 0.8967
154 1AC 0.8966
155 URA 0.8963
156 PMB 0.8960
157 BMD 0.8957
158 SPV 0.8952
159 JYD 0.8951
160 9X7 0.8951
161 NVA 0.8940
162 XYL 0.8940
163 RB5 0.8940
164 1SP 0.8940
165 98J 0.8939
166 MZW 0.8939
167 FB2 0.8937
168 MSF 0.8934
169 E60 0.8932
170 9YL 0.8929
171 NVI 0.8929
172 DAB 0.8927
173 40E 0.8925
174 UY7 0.8924
175 HGQ 0.8924
176 CRS 0.8922
177 265 0.8917
178 AKB 0.8913
179 FOA 0.8910
180 ROR 0.8907
181 TP5 0.8907
182 1SH 0.8906
183 2KT 0.8906
184 PCA 0.8906
185 HCS 0.8905
186 54D 0.8904
187 SGL 0.8904
188 XUL 0.8904
189 DMV 0.8901
190 MTG 0.8893
191 DCY 0.8893
192 2RA 0.8891
193 BU4 0.8889
194 YCP 0.8888
195 R67 0.8888
196 24T 0.8880
197 6PC 0.8878
198 SLP 0.8877
199 SS2 0.8874
200 RBL 0.8873
201 3OH 0.8868
202 8K2 0.8868
203 PBE 0.8866
204 03W 0.8864
205 192 0.8863
206 TAR 0.8861
207 AC5 0.8855
208 SYN 0.8853
209 AMC 0.8851
210 OHG 0.8851
211 DTU 0.8841
212 DBB 0.8841
213 CSS 0.8838
214 DXX 0.8837
215 SNE 0.8833
216 ACH 0.8831
217 BUB 0.8831
218 AOA 0.8829
219 ABA 0.8827
220 PUT 0.8826
221 OXL 0.8823
222 SAR 0.8823
223 ICN 0.8821
224 BP9 0.8817
225 MTD 0.8815
226 LDU 0.8812
227 PGH 0.8812
228 FBJ 0.8809
229 GLY ALA 0.8809
230 NCA 0.8806
231 25T 0.8805
232 2IM 0.8805
233 ITU 0.8801
234 DGY 0.8801
235 HYA 0.8800
236 5AC 0.8800
237 CMS 0.8794
238 TLA 0.8793
239 C2N 0.8792
240 JAB 0.8790
241 BAM 0.8788
242 RUU 0.8785
243 M6W 0.8784
244 HVQ 0.8783
245 BVC 0.8783
246 NBZ 0.8781
247 IMR 0.8778
248 HIU 0.8777
249 GLU 0.8776
250 1DU 0.8771
251 HSM 0.8771
252 IDH 0.8770
253 284 0.8769
254 GP9 0.8768
255 PRI 0.8768
256 VSO 0.8766
257 HBX 0.8763
258 ETX 0.8761
259 XRG 0.8761
260 BEN 0.8760
261 RCO 0.8760
262 BEZ 0.8758
263 M58 0.8758
264 J1Z 0.8757
265 QDK 0.8752
266 DUC 0.8752
267 MRZ 0.8751
268 APY 0.8749
269 2PG 0.8749
270 2AS 0.8748
271 1DH 0.8747
272 MZ0 0.8746
273 HAI 0.8746
274 PZA 0.8746
275 CXL 0.8745
276 4HA 0.8744
277 ABN 0.8744
278 R1X 0.8744
279 R2B 0.8744
280 AKG 0.8743
281 URP 0.8741
282 3CH 0.8740
283 HY3 0.8738
284 FQI 0.8736
285 RP7 0.8734
286 SVJ 0.8731
287 23B 0.8730
288 BNS 0.8729
289 NIO 0.8726
290 XAP 0.8724
291 4CH 0.8722
292 FPI 0.8722
293 B24 0.8718
294 IZC 0.8716
295 BML 0.8715
296 ETF 0.8715
297 1MR 0.8715
298 HSW 0.8710
299 PTO 0.8705
300 ISU 0.8704
301 MET 0.8703
302 BXO 0.8701
303 CYH 0.8698
304 GAG 0.8694
305 HYN 0.8692
306 PE9 0.8692
307 3BB 0.8690
308 QSC 0.8689
309 PLQ 0.8687
310 H3M 0.8685
311 CNH 0.8685
312 BVF 0.8680
313 LG5 0.8680
314 OK7 0.8680
315 60P 0.8679
316 2CO 0.8678
317 14J 0.8675
318 BVG 0.8673
319 9CL 0.8672
320 HBA 0.8672
321 LG3 0.8670
322 CYT 0.8670
323 TNE 0.8670
324 UNU 0.8665
325 PY7 0.8664
326 EGD 0.8662
327 FPN 0.8659
328 A3B 0.8657
329 282 0.8657
330 HQE 0.8654
331 OXD 0.8651
332 M3T 0.8650
333 TMH 0.8648
334 PBC 0.8647
335 GBD 0.8646
336 ORN 0.8646
337 A2Q 0.8646
338 PCR 0.8644
339 2EZ 0.8644
340 PYF 0.8642
341 26D 0.8640
342 0OC 0.8640
343 6M4 0.8637
344 93B 0.8636
345 NBE 0.8636
346 YHO 0.8636
347 IPH 0.8635
348 7WG 0.8632
349 MMQ 0.8632
350 FPY 0.8631
351 B3R 0.8630
352 4H2 0.8629
353 VGL 0.8628
354 SEP 0.8627
355 GLY GLY 0.8624
356 XIX 0.8621
357 7EX 0.8621
358 CIG 0.8620
359 7N0 0.8619
360 PYJ 0.8618
361 URQ 0.8618
362 4VP 0.8615
363 DPF 0.8614
364 NTN 0.8611
365 SKG 0.8611
366 HEW 0.8611
367 ECE 0.8611
368 RIP 0.8610
369 PXY 0.8607
370 GIF 0.8607
371 RSF 0.8605
372 URF 0.8603
373 NCM 0.8601
374 DA1 0.8600
375 A09 0.8596
376 8GF 0.8585
377 LG4 0.8584
378 DS0 0.8582
379 AHR 0.8580
380 3ZQ 0.8575
381 AGK 0.8574
382 3PG 0.8563
383 IND 0.8556
384 1PT 0.8551
385 TAN 0.8550
386 GXE 0.8550
387 PKU 0.8540
388 BZI 0.8537
389 RHU 0.8535
390 GOL 0.8533
391 L60 0.8530
392 MEV 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3SCH; Ligand: TB6; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 3sch.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 6B9R 2HE 23.7374
2 6B9T 2HE 25.2525
3 6B9T 2HE 25.2525
4 6B9T 2HE 25.2525
5 6B9T 2HE 25.2525
Pocket No.: 2; Query (leader) PDB : 3SCH; Ligand: TB6; 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: 3sch.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3SCH; Ligand: TB6; Similar sites found with APoc: 4
This union binding pocket(no: 3) in the query (biounit: 3sch.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 6B9T 2HE 25.2525
2 6B9T 2HE 25.2525
3 6B9T 2HE 25.2525
4 5U55 S0H 36.3158
Pocket No.: 4; Query (leader) PDB : 3SCH; Ligand: TB6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3sch.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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