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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 15 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 13 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 9 families.
1 3SCH - TB6 C3 H9 O4 P C[C@H](CP(....
Polypharmacology
Similar Ligands
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 Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3SCH; Ligand: TB6; Similar sites found with APoc: 336
This union binding pocket(no: 1) in the query (biounit: 3sch.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5OO5 UUA None
2 2QZT PLM None
3 6GBV FMN None
4 5OWC AYZ None
5 2E56 MYR None
6 5EZU MYR None
7 3QP8 HL0 None
8 3BGD PM6 1.0101
9 1SQI 869 1.51515
10 6MPT C30 2.0202
11 4GCZ FMN 2.0202
12 3RGA LSB 2.0202
13 2XN5 FUN 2.0202
14 3AKK ADP 2.0202
15 4I4Z 2NE 2.0202
16 1VJY 460 2.0202
17 1W6K LAN 2.0202
18 1DJX I3P 2.0202
19 2BWA GLC BGC 2.0202
20 5FIT AP2 2.04082
21 3NV3 GAL NAG MAN 2.17391
22 2PR5 FMN 2.27273
23 4OCT AKG 2.52525
24 4NPL AKG 2.52525
25 3AMN CBI 2.52525
26 3AMN CBK 2.52525
27 4HKP TKW 2.52525
28 2PUL ACP 2.52525
29 3MKN DNB 2.52525
30 3AVR OGA 2.52525
31 3VKC FPQ 2.52525
32 5HA0 LTD 2.5641
33 4RYV ZEA 2.58065
34 4WUJ FMN 2.72109
35 3N0Y APC 2.7933
36 1WUB OTP 2.80899
37 1QFT HSM 2.85714
38 4M1U A2G MBG 2.85714
39 1QY1 PRZ 3.0303
40 4J36 1HR 3.0303
41 4P42 PEE 3.0303
42 5FP3 3JI 3.0303
43 4D52 GXL 3.0303
44 4S1B 2BA 3.0303
45 5YBN AKG 3.0303
46 4D52 GIV 3.0303
47 5O9W AKG 3.0303
48 4D4U FUC NDG GAL FUC 3.0303
49 6CQF F97 3.0303
50 1OLM VTQ 3.0303
51 5KD6 LBU 3.0303
52 6F6D AKG 3.0303
53 4J36 FAD 3.0303
54 4XCB HY0 3.0303
55 4OMJ 2TX 3.0303
56 2Q7D ANP 3.0303
57 1U5R ATP 3.0303
58 1Z2P ACP 3.0303
59 1Z2P I3S 3.0303
60 6E08 NAP 3.0303
61 4QDC ASD 3.0303
62 4CQE CQE 3.0303
63 4QDF 30Q 3.0303
64 3CY2 MB9 3.0303
65 6AP6 TLF 3.0303
66 2D6M LBT 3.14465
67 4ORR PE3 3.15789
68 1AV5 AP2 3.1746
69 5RHN 8BR 3.47826
70 2ET1 GLV 3.53535
71 5A67 3PO 3.53535
72 6F4T OGA 3.53535
73 5NW7 9C2 3.53535
74 4BG1 OGA 3.53535
75 4BG1 IVL 3.53535
76 4MP8 NAD 3.53535
77 4MP8 MLI 3.53535
78 4A4X JUP 3.53535
79 5IQT AKG 3.53535
80 5IQT 6CU 3.53535
81 4TXJ THM 3.53535
82 3MAX LLX 3.53535
83 2WBP ZZU 3.53535
84 2WBP SIN 3.53535
85 5E62 Z3Q GAL 5N6 3.53535
86 5HV0 AKG 3.53535
87 4BVA T3 3.53535
88 2FCU AKG 3.53535
89 3OIX FMN 3.53535
90 2IUW AKG 3.53535
91 2RFZ CTR 3.53535
92 5E65 5N6 GAL 3.53535
93 1SUW NAP 3.53535
94 5FPX GLY SER SER HIS HIS HIS HIS HIS 3.53982
95 1LRH NLA 3.68098
96 5IXH OTP 3.72671
97 3PQB VGP 3.79242
98 1QIN GIP 3.82514
99 1NWW HPN 4.02685
100 4Q0P 0MK 4.0404
101 1OS7 TAU 4.0404
102 1OS7 AKG 4.0404
103 2RKV COA 4.0404
104 1YKD CMP 4.0404
105 5LUN ARG 4.0404
106 4OJ8 AKG 4.0404
107 4NZN ANP 4.0404
108 4NZN 2OU 4.0404
109 3RDE OYP 4.0404
110 3R1Z ALA GLU 4.0404
111 3C3N FMN 4.0404
112 4OJ8 2TQ 4.0404
113 1HKK NAA NAA AMI 4.0404
114 2ZRU FMN 4.0404
115 5EPA AKG 4.0404
116 1NX4 AKG 4.0404
117 3G6K FAD 4.0404
118 5LUN OGA 4.0404
119 3G6K POP 4.0404
120 4ZU4 4TG 4.05405
121 1NYW DAU 4.06091
122 1TT8 PHB 4.26829
123 1DZK PRZ 4.4586
124 2Y7G AAE 4.54545
125 2GQR ADP 4.54545
126 4D06 NAR 4.54545
127 4MLO PAM 4.54545
128 3W68 VIV 4.54545
129 5A3T MMK 4.54545
130 2B3B BGC 4.54545
131 4GJ3 0XP 4.54545
132 4CYD CMP 4.54545
133 2B3B GLC 4.54545
134 3AJH BL3 4.54545
135 3FC2 IBI 4.54545
136 2X41 BGC 4.54545
137 3OZ2 OZ2 4.54545
138 5ML3 DL3 4.69799
139 1Y0G 8PP 4.71204
140 1I82 BGC BGC 4.7619
141 2GC0 PAN 4.78723
142 5HVA DUP 5
143 3VV1 GAL FUC 5
144 5A61 3PO 5.05051
145 4M26 ZZU 5.05051
146 4BXF AKG 5.05051
147 5C3R HMU 5.05051
148 5C3R AKG 5.05051
149 4L2I NAD 5.05051
150 5XEG AKG 5.05051
151 4M26 SIN 5.05051
152 1R5L VIV 5.05051
153 2JEN GLC GLC BGC XYS BGC XYS 5.05051
154 3E7O 35F 5.05051
155 5W0N UPU 5.05051
156 2ABS ACP 5.05051
157 3MJY IJZ 5.05051
158 3MJY FMN 5.05051
159 4I42 1HA 5.05051
160 5U3B 7TD 5.05051
161 3NKT 1HN 5.05051
162 3VRY B43 5.05051
163 5HC0 NPO 5.05051
164 4M26 AKG 5.05051
165 2YIC TPP 5.05051
166 5O0J GLC 5.05051
167 5Y77 KYN 5.05051
168 1ERB ETR 5.46448
169 5JSP DQY 5.55556
170 5ZM4 AKG 5.55556
171 5ZM4 9FU 5.55556
172 5OX6 A1Z 5.55556
173 3HDY FAD 5.55556
174 3HDY FDA 5.55556
175 3HDY GDU 5.55556
176 3HQR OGA 5.55556
177 2RDQ AKG 5.55556
178 4WVW SLT 5.55556
179 4CYI ATP 5.55556
180 2IXC TRH 5.55556
181 1R37 NAD 5.55556
182 5EPO TUD 5.55556
183 6C8R EQV 5.55556
184 5L9B AKG 5.55556
185 3B1Q NOS 5.55556
186 6GG9 FMN 5.55556
187 2Y5S 78H 5.55556
188 4QA8 PJZ 5.55556
189 3FW4 CAQ 5.61798
190 5DNL 5DL 5.68182
191 2YGN PCF 5.76923
192 5I0U DCY 6.06061
193 5YJS SAL 6.06061
194 2OBD 2OB 6.06061
195 5HCY 60D 6.06061
196 5Y4K AKR 6.06061
197 6F6J CUW 6.06061
198 3MI2 PFU 6.06061
199 1DRY AKG 6.06061
200 1DRY AAG 6.06061
201 5AYE BMA BMA 6.06061
202 6F6J SIN 6.06061
203 4USF 6UI 6.06061
204 5FBN 5WF 6.06061
205 4GGZ BTN 6.08696
206 3TAY MN0 6.13497
207 1Y9Q MED 6.25
208 3SAO NKN 6.25
209 4HIA FMN 6.25
210 4IPH 1FJ 6.50407
211 2WA4 069 6.56566
212 6EOZ 58K 6.56566
213 6EOZ AKG 6.56566
214 4IE6 UN9 6.56566
215 4CCK OGA 6.56566
216 5JWP AKG 6.56566
217 4CCN OGA 6.56566
218 2XUM OGA 6.56566
219 3MHA Z69 6.56566
220 1H2K OGA 6.56566
221 4Y3O OGA 6.56566
222 4B7E OGA 6.56566
223 3P3N AKG 6.56566
224 2WSA MYA 6.56566
225 2WSA 646 6.56566
226 1Q9I FAD 6.56566
227 1Q9I TEO 6.56566
228 4CCO OGA 6.56566
229 1OIJ AKG 6.56566
230 5EO8 TFU 6.56566
231 2RIO ADP 6.56566
232 4NNB OAA 6.56566
233 4UHL VFV 6.56566
234 4J25 OGA 6.56566
235 2VBU CDP 6.61765
236 2CM4 RCL 6.66667
237 2GJ5 VD3 6.79012
238 2GOO NDG 6.87023
239 1LFO OLA 7.03125
240 1T27 PCW 7.07071
241 4QCK ASD 7.07071
242 4UWJ MYA 7.07071
243 4UWJ 7L5 7.07071
244 5C5T AKG 7.07071
245 4WW8 VD9 7.07071
246 4S3R 7SA 7.07071
247 4WVO 3UZ 7.07071
248 5MW8 ATP 7.07071
249 5LXB 7A9 7.07071
250 1W2D 4IP 7.07071
251 6HDT BTN 7.5188
252 2YG2 S1P 7.55814
253 6CLV 6MB 7.56014
254 1UNB AKG 7.57576
255 3WW2 LPK 7.57576
256 3WW2 SF6 7.57576
257 3V8S 0HD 7.57576
258 3MPB FRU 7.57576
259 6EXF LYS 7.57576
260 4H6B 10Y 7.69231
261 4P7X YCP 8.08081
262 4P7X AKG 8.08081
263 5K6N XYP 8.08081
264 2RHQ GAX 8.58586
265 4BUZ OCZ 8.58586
266 2Z81 PCJ 8.58586
267 6FWH 5LD 8.62944
268 2Z77 HE7 8.63309
269 4WN5 MVC 8.69565
270 5DRB 5FJ 9.09091
271 4OAV ACP 9.09091
272 4YRD 3IT 9.59596
273 5JU6 BGC 9.59596
274 5IVE 6E8 9.59596
275 3FW9 SLX 9.59596
276 3PGU OLA 9.59596
277 4YZC STU 10.101
278 1ZHX HC3 10.101
279 6FE1 V14 10.6061
280 3ZDS M8O 10.6061
281 5AA4 6X4 10.6061
282 4XDA ADP 10.6061
283 4XDA RIB 10.6061
284 2IFB PLM 10.687
285 5FLJ QUE 10.7527
286 1J3R 6PG 11.0526
287 1GQG DCD 11.1111
288 2YNE NHW 11.1111
289 2YNE YNE 11.1111
290 4IID NOJ 11.1111
291 4GYI ADP 11.1111
292 4IGQ THR M3L GLN 11.1111
293 5TBM 79A 11.1111
294 1MH5 HAL 11.1111
295 5K2M ADP 11.3208
296 4QM9 CYS 11.5607
297 2XMY CDK 11.6162
298 6D61 4AA 11.7949
299 1SU2 ATP 11.9497
300 2JIG PD2 12.1212
301 3H9A PPY 12.1212
302 2PVN P63 12.1212
303 2ARC ARA 12.1951
304 5TPV TYD 12.4183
305 4ZXA H8N 12.5
306 3H7J PPY 12.6263
307 3DXW ICC 12.6263
308 1H4H XYP XYS XYP 13.1313
309 4HSJ 6PC 13.2184
310 4ZU5 THM 13.8889
311 5W4W 9WG 14.1414
312 4KBA 1QM 14.1414
313 5YF9 NIO 14.1414
314 5KWY C3S 14.2857
315 1GP6 QUE 14.6465
316 1GP6 SIN 14.6465
317 1GP6 DH2 14.6465
318 4J7Q B7N 15.1515
319 1BHX ASP PHE GLU GLU ILE 16.1905
320 4UDK BMA 16.6667
321 4UDG NDG 16.6667
322 4UDK BMA NDG 16.6667
323 5TFZ 7BC 18
324 5W1E PHB 18.1818
325 5Y72 DST 18.1818
326 5GP0 GPP 19.4631
327 3BRN SRO 19.7452
328 2HKA C3S 20.7692
329 4OPC FDA 22.7273
330 6B9R 2HE 23.7374
331 4CRL C1I 23.7374
332 3CXH SMA 24.7312
333 1H2M OGA 25
334 6B9T 2HE 25.2525
335 2Y0I AKG 33.3333
336 5U55 S0H 36.3158
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: 22
This union binding pocket(no: 3) in the query (biounit: 3sch.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 6G5J EM8 1.81818
2 4BLW SAH 2.0202
3 4RFR RHN 2.52525
4 4P5F AR6 3.0303
5 2UUU FAD 3.53535
6 2UUU PL3 3.53535
7 4D9C PMP 3.53535
8 5BU3 4W9 3.80435
9 4MDH NAD 4.54545
10 2GQS ADP 4.54545
11 5IH9 6BF 5.05051
12 4L2I FAD 5.05051
13 4LIT AKG 5.05051
14 4OQR 2UO 5.55556
15 6C1S EFV 5.55556
16 1DQX BMP 5.55556
17 2C49 ADN 6.06061
18 2E9L PLM 6.56566
19 2E9L OLA 6.56566
20 2E9L BGC 6.56566
21 3E85 BSU 10.1266
22 2NSX IFM 11.6162
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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