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Receptor
PDB id Resolution Class Description Source Keywords
4JH6 1.32 Å EC: 2.5.1.- CRYSTAL STRUCTURE OF FOSB FROM BACILLUS CEREUS WITH MANGANES FOSFOMYCIN BACILLUS CEREUS BACILLITHIOL-S-TRANSFERASE TRANSFERASE
Ref.: STRUCTURAL AND CHEMICAL ASPECTS OF RESISTANCE TO TH ANTIBIOTIC FOSFOMYCIN CONFERRED BY FOSB FROM BACILL CEREUS. BIOCHEMISTRY V. 52 7350 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:203;
A:205;
B:203;
B:205;
Part of Protein;
Invalid;
Invalid;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
GOL B:204;
A:204;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN A:201;
B:201;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
FCN B:202;
A:202;
Valid;
Valid;
none;
none;
submit data
138.059 C3 H7 O4 P C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JH6 1.32 Å EC: 2.5.1.- CRYSTAL STRUCTURE OF FOSB FROM BACILLUS CEREUS WITH MANGANES FOSFOMYCIN BACILLUS CEREUS BACILLITHIOL-S-TRANSFERASE TRANSFERASE
Ref.: STRUCTURAL AND CHEMICAL ASPECTS OF RESISTANCE TO TH ANTIBIOTIC FOSFOMYCIN CONFERRED BY FOSB FROM BACILL CEREUS. BIOCHEMISTRY V. 52 7350 2013
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4JH4 - FCN C3 H7 O4 P C[C@H]1[C@....
2 4JH7 - 1KM C6 H14 N O6 P S C[C@@H]([C....
3 4JH3 - FCN C3 H7 O4 P C[C@H]1[C@....
4 4JH6 - FCN C3 H7 O4 P C[C@H]1[C@....
5 4JH9 - 1KM C6 H14 N O6 P S C[C@@H]([C....
6 4JH5 - FCN C3 H7 O4 P C[C@H]1[C@....
7 4JH8 - FCN C3 H7 O4 P C[C@H]1[C@....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4JH4 - FCN C3 H7 O4 P C[C@H]1[C@....
2 4JH7 - 1KM C6 H14 N O6 P S C[C@@H]([C....
3 4JH3 - FCN C3 H7 O4 P C[C@H]1[C@....
4 4JH6 - FCN C3 H7 O4 P C[C@H]1[C@....
5 4JH9 - 1KM C6 H14 N O6 P S C[C@@H]([C....
6 4JH5 - FCN C3 H7 O4 P C[C@H]1[C@....
7 4JH8 - FCN C3 H7 O4 P C[C@H]1[C@....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4JH4 - FCN C3 H7 O4 P C[C@H]1[C@....
2 4JH7 - 1KM C6 H14 N O6 P S C[C@@H]([C....
3 4JH3 - FCN C3 H7 O4 P C[C@H]1[C@....
4 4JH6 - FCN C3 H7 O4 P C[C@H]1[C@....
5 4JH9 - 1KM C6 H14 N O6 P S C[C@@H]([C....
6 4JH5 - FCN C3 H7 O4 P C[C@H]1[C@....
7 4JH8 - FCN C3 H7 O4 P C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FCN; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 FCN 1 1
2 FM4 0.481481 0.903226
3 FV1 0.433333 0.848485
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JH6; Ligand: FCN; Similar sites found with APoc: 310
This union binding pocket(no: 1) in the query (biounit: 4jh6.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZXE PGZ None
2 1WUB OTP None
3 2AG4 OLA None
4 2AG4 LP3 None
5 5H9Q TD2 None
6 5HZ9 5M8 None
7 2PR5 FMN None
8 4AZP A9M None
9 5ML3 DL3 None
10 5SVV FMN None
11 5HA0 LTD None
12 1FDQ HXA None
13 5DEY 59T None
14 5HZ5 65X None
15 5DKK FMN None
16 1N5S ADL None
17 3TAY MN0 None
18 2Z77 HE7 None
19 6GR0 F8W None
20 3M3E GAL A2G NPO None
21 1KGI T4A None
22 4OCT AKG None
23 5BVS EIC None
24 4NV7 COA None
25 2BOS GLA GAL GLC None
26 3QP8 HL0 None
27 5GP0 GPP None
28 4XCB HY0 None
29 4RFR RHN None
30 3WG3 A2G GAL NAG FUC None
31 1KQW RTL None
32 4CNO 9PY None
33 5FQK 6NT None
34 1CEB AMH None
35 2JEN GLC GLC BGC XYS BGC XYS None
36 2BOS GLA GAL None
37 1WBI BTN None
38 4FFG 0U8 1.44928
39 6G0X RAM GLC GLA NAG NDG NAG 1.44928
40 3FW4 CAQ 1.44928
41 3O2K DST 1.44928
42 4IAW LIZ 1.44928
43 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 1.44928
44 5ISY NAD 1.44928
45 1N9L FMN 1.83486
46 1GQG DCD 2.17391
47 5TZO 7V7 2.17391
48 1TT8 PHB 2.17391
49 5TPV TYD 2.17391
50 2RDQ AKG 2.17391
51 2WPU KYT 2.17391
52 4MP8 MLI 2.17391
53 4MP8 NAD 2.17391
54 5YXC CIT 2.17391
55 1F5F DHT 2.17391
56 4BX7 B4F 2.25564
57 4M1U A2G MBG 2.85714
58 1T27 PCW 2.89855
59 6GBV FMN 2.89855
60 5Y72 DST 2.89855
61 4RKC PMP 2.89855
62 3N0Y APC 2.89855
63 1ERB ETR 2.89855
64 2D6M LBT 3.62319
65 6MPT C30 3.62319
66 3PQB VGP 3.62319
67 1OLM VTQ 3.62319
68 4OMJ 2TX 3.62319
69 4L4J NAG NAG BMA MAN NAG 3.62319
70 3AGC RCC 3.62319
71 4EUU BX7 3.62319
72 2CSN CKI 3.62319
73 5LUN OGA 3.62319
74 3FW9 SLX 3.62319
75 3ZGJ RMN 4.34783
76 3E2M E2M 4.34783
77 3NV3 GAL NAG MAN 4.34783
78 4YLZ LAT NAG GAL 4.34783
79 1EWF PC1 4.34783
80 1MH5 HAL 4.34783
81 3W8X FTK 4.34783
82 1LBF 137 4.34783
83 1Y2F WAI 4.34783
84 4WUJ FMN 4.34783
85 4ZU4 4TG 4.34783
86 3LVW GSH 4.34783
87 2JLD AG1 4.34783
88 1MJJ HAL 4.34783
89 3K4Z CBI 4.34783
90 3HX3 RET 4.34783
91 5JSP DQY 4.34783
92 1NYW DAU 4.34783
93 4D06 NAR 4.34783
94 4QCK ASD 4.34783
95 2R2N KYN 4.34783
96 1UNB PN1 4.34783
97 1UNB AKG 4.34783
98 2OJW ADP 4.34783
99 3HXG GTA 4.34783
100 2EQA AMP 4.34783
101 4NW6 2NS 4.34783
102 5E2N V14 4.34783
103 1PZX PLM 4.34783
104 2ZC0 PMP 4.34783
105 2R2N PMP 4.34783
106 5CJ3 52G 4.44444
107 1P0Z FLC 4.58015
108 5LN8 GAL 4.58015
109 2Z6D FMN 4.61538
110 5B09 4MX 4.80769
111 1Y0G 8PP 5.07246
112 5T7I LAT NAG GAL 5.07246
113 1ZB6 DIN 5.07246
114 2GJ5 VD3 5.07246
115 2GC0 PAN 5.07246
116 5EOB 5QQ 5.07246
117 3D72 FAD 5.07246
118 3IS2 FAD 5.07246
119 1ZB6 GST 5.07246
120 4R3U 3HC 5.07246
121 4R3U 3KK 5.07246
122 2FB3 GTP 5.07246
123 4WUP 3UF 5.07246
124 3E8T UQ8 5.07246
125 5IXG OTP 5.07246
126 4ZU5 THM 5.07246
127 5NBW 8SK 5.07246
128 2P8B NSK 5.07246
129 5A5W GUO 5.07246
130 3M3R BCD 5.07246
131 4HMT FMN 5.07246
132 4HMT NNV 5.07246
133 4EE7 PIS 5.07246
134 6FE1 V14 5.07246
135 2HZQ STR 5.7971
136 1ULE GLA GAL NAG 5.7971
137 5H9P TD2 5.7971
138 3PG7 PTY 5.7971
139 4H2V AMP 5.7971
140 3MF2 AMP 5.7971
141 2V0U FMN 5.7971
142 2WKQ FMN 5.7971
143 5IXH OTP 5.7971
144 3P7N FMN 5.7971
145 2CM4 RCL 5.7971
146 5NFB 8VT 5.7971
147 1LN1 DLP 5.7971
148 5ODY 9SK 5.7971
149 4RYV ZEA 5.7971
150 2WK9 PLG 5.7971
151 4J7Q B7N 5.7971
152 1REQ DCA 5.7971
153 6FOF LAT 5.7971
154 2OBD 2OB 5.7971
155 4H2X G5A 5.7971
156 1C1L GAL BGC 5.83942
157 5NIU 8YZ 6.25
158 4B2Z P5S 6.52174
159 5OX6 A1Z 6.52174
160 3E8N ATP 6.52174
161 3E8N VRA 6.52174
162 1J3R 6PG 6.52174
163 4IE6 UN9 6.52174
164 2YG2 S1P 6.52174
165 4P25 FUC GAL NAG FUC 6.52174
166 2YG2 FLC 6.52174
167 2TPS TPS 6.52174
168 3STD MQ0 6.52174
169 4GJ3 0XP 6.52174
170 4P7X AKG 6.52174
171 4P7X YCP 6.52174
172 1IS3 LAT 6.66667
173 2HJ4 PNZ 6.66667
174 6GG9 FMN 6.79012
175 2IFB PLM 6.87023
176 3QRC SCR 7.24638
177 5DQ8 FLF 7.24638
178 2C49 ADN 7.24638
179 3W68 VIV 7.24638
180 5KEW 6SB 7.24638
181 1H8S AIC 7.24638
182 5AE9 OKO 7.24638
183 2I6A 5I5 7.24638
184 4QDF 30Q 7.24638
185 5A3T MMK 7.24638
186 2OVD DAO 7.24638
187 5H5A 6OU 7.24638
188 4MNS 2AX 7.97101
189 3Q8G PEE 7.97101
190 5DRB 5FJ 7.97101
191 4HIA FMN 7.97101
192 2ZYI STE 7.97101
193 6D61 4AA 7.97101
194 4V24 GYR 7.97101
195 4WW8 VD9 7.97101
196 4D52 GIV 7.97101
197 1ZHX HC3 7.97101
198 4K55 H6P 8.06452
199 3VV1 GAL FUC 8.125
200 2HKA C3S 8.46154
201 2Z6C FMN 8.52713
202 3T50 FMN 8.59375
203 3MTX PGT 8.69565
204 5NLD LBT 8.69565
205 2XMY CDK 8.69565
206 3A7R LAQ 8.69565
207 1AJS PLA 8.69565
208 2WA4 069 8.69565
209 1KW6 BPY 8.69565
210 5KD6 LBU 8.69565
211 5KD6 6C7 8.69565
212 6FA4 D1W 8.69565
213 2YVO AMP 8.79121
214 1TFZ 869 9.42029
215 2A4W BLM 9.42029
216 2WL9 MBD 9.42029
217 4N70 2HX 9.42029
218 3JZ0 CLY 9.42029
219 4MUV PCG 9.42029
220 4H6B 10X 9.42029
221 4EES FMN 9.56522
222 3T0X DIW 9.7561
223 4FHD 0TT 10.1449
224 4FHD EEM 10.1449
225 3B1Q NOS 10.1449
226 3E85 BSU 10.1449
227 3RGA LSB 10.1449
228 1OFZ FUC 10.1449
229 3OYW TDG 10.4478
230 5ACM MBT 10.8108
231 1GP6 QUE 10.8696
232 1GP6 DH2 10.8696
233 1GP6 SIN 10.8696
234 3ZXR P3S 10.8696
235 3ZXR IQ1 10.8696
236 4U03 GTP 10.8696
237 4O9S 2RY 10.8696
238 2GQS C2R 10.8696
239 2ZI8 SDT 10.8696
240 2A1L PCW 11.5942
241 5C3R HMU 11.5942
242 5C3R AKG 11.5942
243 6EOZ AKG 11.5942
244 6EOZ 58K 11.5942
245 1Y7P RIP 11.5942
246 3FP0 FP0 11.5942
247 6GNO XDI 11.8519
248 3G08 FEE 12.1212
249 3QUZ QUV 12.1212
250 3RUG DB6 12.1212
251 3SCM LGN 12.1212
252 1LEK GLU GLN TYR LYS PHE TYR SER VAL 12.1212
253 4OPC FDA 12.3188
254 5UMY TNN 12.3188
255 3WV6 GAL BGC 12.3188
256 4OPC PGT 12.3188
257 6E08 NAP 12.3188
258 5GLT BGC GAL NAG GAL 12.3188
259 4G31 0WH 12.3188
260 2ZHL NAG GAL GAL NAG 12.3188
261 2YGN PCF 12.3188
262 2R5V HHH 13.0435
263 4J36 1HR 13.0435
264 5DJT FMN 13.1148
265 5BVT PAM 13.4328
266 5TBM 79A 13.6752
267 4GCZ FMN 13.7681
268 4WVW SLT 13.7681
269 2RKV ZBA 13.7681
270 2RKV COA 13.7681
271 2X5F PLP 13.7681
272 1SDW IYT 13.7681
273 2Q7D ANP 13.7681
274 3VQ2 LP4 LP5 MYR DAO 14.4928
275 2XK9 XK9 14.4928
276 1QY1 PRZ 14.4928
277 5OCG 9R5 14.4928
278 4BVA T3 14.4928
279 6FXR AKG 14.4928
280 4YGF AZM 14.4928
281 3F5K CE5 14.4928
282 5DJU FMN 14.7541
283 4K3H 1OM 16.1017
284 1SQI 869 16.6667
285 4YZC STU 16.6667
286 4R38 RBF 16.6667
287 5U98 1KX 16.6667
288 3L9R L9R 17.3469
289 3MHA Z69 17.3913
290 2WLG SOP 17.3913
291 4NZN ANP 17.3913
292 4NZN 2OU 17.3913
293 3STK PLM 17.4242
294 5EFW FMN 18.3333
295 2E56 MYR 18.8406
296 2FTB OLA 19.2
297 1QIN GIP 20.2899
298 4BVM PLM 21.8045
299 5BU3 4W9 22.4638
300 5X7Q GLC GLC GLC GLC 24.6377
301 3HPY MCT 26.8116
302 2IGA XX3 28.2609
303 2IGA XXP 28.2609
304 2IGA XX2 28.2609
305 1F1V DHY 28.9855
306 1OXO IK2 29.7101
307 4WO4 JLS 30.4348
308 1LGT BP3 38.4058
309 2YAK OSV 39.8551
310 1NKI PPF 48.8889
Pocket No.: 2; Query (leader) PDB : 4JH6; Ligand: FCN; Similar sites found with APoc: 74
This union binding pocket(no: 2) in the query (biounit: 4jh6.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5UWA 8ND None
2 4ZSI GLP None
3 2QO4 CHD None
4 5FLJ QUE 1.44928
5 1VA6 P2S 3.62319
6 1VA6 ADP 3.62319
7 5LUN ARG 3.62319
8 3E7O 35F 3.62319
9 4NMC FAD 3.62319
10 2X32 OTP 4.34783
11 2X34 UQ8 4.34783
12 4BJZ FAD 4.34783
13 4BJZ P3A 4.34783
14 3W8X FAD 4.34783
15 4ONA UW1 4.34783
16 4MLO PAM 4.34783
17 4PSB GA3 4.34783
18 4C2V YJA 4.34783
19 2JG1 TA6 4.34783
20 4ZWP M44 4.34783
21 6BU0 IHP 4.58015
22 3TCT 3MI 4.72441
23 4REL KMP 5.07246
24 1VJY 460 5.07246
25 4N7C AEF 5.07246
26 3AMN CBI 5.07246
27 3AMN CBK 5.07246
28 2Y3S TIR 5.07246
29 5FPX GLY SER SER HIS HIS HIS HIS HIS 5.30973
30 1EWJ BLM 5.55556
31 4XV1 904 5.7971
32 6C1S EFV 5.7971
33 1IIU RTL 5.7971
34 4CQE CQE 5.7971
35 5INJ 6C7 5.7971
36 3OA2 NAD 6.52174
37 5VZ0 ADP 6.52174
38 1KHZ ADV 6.52174
39 2XIQ MLC 6.52174
40 2GJ3 FAD 6.66667
41 5IH9 6BF 7.24638
42 6EZ6 C5Z 7.24638
43 5KBZ 3B2 7.97101
44 1CBK ROI 7.97101
45 2QCS ANP 7.97101
46 3OZ2 OZ2 9.42029
47 2CWH NDP 9.42029
48 4P8K 38C 10.1449
49 4P8K FAD 10.1449
50 4Y24 TD2 10.1449
51 4OAV PO4 PO4 A A A A PO4 10.1449
52 4U0W 16G 10.1449
53 3RGA ILD 10.1449
54 3H5N ATP 10.8696
55 5J75 6GQ 10.8696
56 3WUC GLC GAL 10.9489
57 1ODM ASV 11.5942
58 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 12.1212
59 2YGO PCF 12.3188
60 4J36 FAD 13.0435
61 3SAO NKN 13.0435
62 3T4L ZEA 13.0435
63 5G3U ITW 13.7681
64 1ZP9 ATP 14.4928
65 4F7E 0SH 17.3469
66 1N07 FMN 18.8406
67 4CCK OGA 19.5652
68 5I0U DCY 19.5652
69 3QT6 2P0 20.2899
70 1ZM1 BGC BGC BGC 22.4638
71 5LI1 ANP 23.913
72 3GM5 CIT 24.6377
73 5X7Q GLC GLC GLC GLC GLC 24.6377
74 3PDB PMP 39.8551
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