Receptor
PDB id Resolution Class Description Source Keywords
5V3D 1.54 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FOSFOMYCIN RESISTANCE PROTEIN FROM KLEB PNEUMONIAE WITH BOUND FOSFOMYCIN KLEBSIELLA PNEUMONIAE FOSA FOSAKP FOSFOMYCIN GLUTATHIONE TRANSFERASE TRANSFERA
Ref.: STRUCTURE AND DYNAMICS OF FOSA-MEDIATED FOSFOMYCIN RESISTANCE IN KLEBSIELLA PNEUMONIAE AND ESCHERICHIA ANTIMICROB. AGENTS V. 61 2017 CHEMOTHER.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K B:202;
A:202;
Part of Protein;
Part of Protein;
none;
none;
submit data
39.098 K [K+]
MN A:204;
A:201;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
EDO B:203;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FCN A:205;
A:203;
Valid;
Valid;
none;
none;
submit data
138.059 C3 H7 O4 P C[C@H...
PEG A:201;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5V3D 1.54 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FOSFOMYCIN RESISTANCE PROTEIN FROM KLEB PNEUMONIAE WITH BOUND FOSFOMYCIN KLEBSIELLA PNEUMONIAE FOSA FOSAKP FOSFOMYCIN GLUTATHIONE TRANSFERASE TRANSFERA
Ref.: STRUCTURE AND DYNAMICS OF FOSA-MEDIATED FOSFOMYCIN RESISTANCE IN KLEBSIELLA PNEUMONIAE AND ESCHERICHIA ANTIMICROB. AGENTS V. 61 2017 CHEMOTHER.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5V3D - FCN C3 H7 O4 P C[C@H]1[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5V3D - FCN C3 H7 O4 P C[C@H]1[C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1NKI Kd = 0.2 uM PPF C H3 O5 P C(=O)(O)P(....
2 1LQP - FCN C3 H7 O4 P C[C@H]1[C@....
3 5V3D - FCN C3 H7 O4 P C[C@H]1[C@....
Polypharmacology
Similar Ligands (2D)
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 Ligands (3D)
Ligand no: 1; Ligand: FCN; Similar ligands found: 314
No: Ligand Similarity coefficient
1 S0H 0.9969
2 PAE 0.9850
3 CP 0.9820
4 PCT 0.9789
5 7VD 0.9780
6 SAT 0.9720
7 TB6 0.9717
8 VX 0.9697
9 2HE 0.9661
10 POA 0.9661
11 TAU 0.9631
12 TFS 0.9607
13 OPE 0.9601
14 9SB 0.9596
15 ODV 0.9587
16 PPV 0.9585
17 MPD 0.9582
18 CHT 0.9575
19 8X3 0.9572
20 P7I 0.9565
21 COM 0.9565
22 POP 0.9559
23 LLQ 0.9555
24 FMS 0.9543
25 PAH 0.9540
26 PPF 0.9532
27 FJO 0.9526
28 BTL 0.9519
29 XPO 0.9499
30 PIS 0.9455
31 MLI 0.9389
32 2PN 0.9385
33 IVA 0.9357
34 BAE 0.9356
35 DMG 0.9349
36 MLA 0.9348
37 TAY 0.9341
38 PGA 0.9334
39 ALO 0.9333
40 3HL 0.9310
41 3HR 0.9293
42 AAE 0.9283
43 MLM 0.9275
44 SSN 0.9275
45 MRY 0.9263
46 P2D 0.9249
47 VAL 0.9233
48 THE 0.9227
49 1AC 0.9227
50 IPU 0.9224
51 ASP 0.9214
52 CYS 0.9202
53 DTL 0.9201
54 AKB 0.9199
55 0V5 0.9199
56 PPR 0.9197
57 PEP 0.9195
58 MDN 0.9193
59 1DQ 0.9189
60 DE2 0.9185
61 GG6 0.9177
62 HSE 0.9175
63 HX2 0.9169
64 ETM 0.9166
65 DAB 0.9165
66 THR 0.9162
67 HDA 0.9161
68 SER 0.9152
69 PRO 0.9149
70 HV2 0.9149
71 DXX 0.9140
72 FLA 0.9136
73 SPV 0.9130
74 SIN 0.9129
75 TFB 0.9125
76 C5J 0.9123
77 3SL 0.9122
78 ICN 0.9120
79 DPR 0.9107
80 2PC 0.9107
81 MAE 0.9104
82 GLU 0.9100
83 1GP 0.9099
84 98J 0.9098
85 COI 0.9096
86 OXL 0.9094
87 PAF 0.9090
88 LER 0.9084
89 HCS 0.9069
90 HZP 0.9067
91 ILE 0.9066
92 HLT 0.9065
93 BU4 0.9061
94 2RH 0.9061
95 LMR 0.9061
96 T2C 0.9060
97 SGL 0.9046
98 DCL 0.9045
99 3PY 0.9041
100 DMV 0.9037
101 XLS 0.9035
102 13P 0.9030
103 BAL 0.9011
104 PRS 0.9006
105 BXO 0.9005
106 BUA 0.9004
107 KG7 0.8995
108 KIV 0.8995
109 OXM 0.8993
110 MLT 0.8992
111 IHG 0.8992
112 LEU 0.8990
113 EFS 0.8990
114 IQ0 0.8989
115 UYA 0.8989
116 OXD 0.8987
117 192 0.8984
118 AC5 0.8984
119 ABU 0.8984
120 DTU 0.8983
121 XAP 0.8981
122 NMG 0.8980
123 ACH 0.8980
124 CRN 0.8979
125 PYR 0.8976
126 G2H 0.8970
127 G3H 0.8970
128 G3P 0.8970
129 M6W 0.8965
130 2KT 0.8965
131 SMB 0.8960
132 ASN 0.8960
133 HUI 0.8955
134 XUL 0.8953
135 BUB 0.8951
136 LAC 0.8950
137 273 0.8948
138 ITN 0.8947
139 CIZ 0.8945
140 TAR 0.8940
141 AOA 0.8937
142 1SP 0.8936
143 HYP 0.8934
144 03W 0.8931
145 WTZ 0.8931
146 DGY 0.8931
147 4MV 0.8925
148 HIU 0.8925
149 PYC 0.8922
150 FUM 0.8922
151 FOA 0.8919
152 TLA 0.8914
153 ABA 0.8911
154 JBN 0.8907
155 1DU 0.8906
156 FSG 0.8904
157 SAR 0.8903
158 VAH 0.8900
159 DSN 0.8896
160 SRT 0.8894
161 3OH 0.8890
162 2OP 0.8888
163 DAS 0.8883
164 PUT 0.8882
165 YHO 0.8881
166 CXL 0.8881
167 C2N 0.8880
168 DAL 0.8880
169 2CO 0.8877
170 QFH 0.8876
171 PCA 0.8875
172 A3B 0.8872
173 HBS 0.8869
174 IOM 0.8868
175 ITU 0.8868
176 39J 0.8865
177 OAA 0.8862
178 ALA 0.8861
179 23W 0.8861
180 HBR 0.8858
181 265 0.8858
182 URP 0.8857
183 ETF 0.8853
184 PRI 0.8845
185 RBL 0.8843
186 23B 0.8842
187 1SH 0.8841
188 2RA 0.8840
189 ALQ 0.8836
190 DCY 0.8832
191 MET 0.8828
192 9X6 0.8825
193 CNH 0.8824
194 A2Q 0.8822
195 CMS 0.8818
196 AMC 0.8818
197 3BB 0.8817
198 ABE 0.8816
199 VSO 0.8816
200 C21 0.8816
201 TZC 0.8807
202 NVI 0.8806
203 7EX 0.8805
204 RSF 0.8804
205 CYH 0.8804
206 RIP 0.8798
207 4JU 0.8798
208 2MH 0.8798
209 H95 0.8797
210 MMQ 0.8792
211 HSW 0.8791
212 KPL 0.8790
213 HGY 0.8790
214 MAK 0.8788
215 TP5 0.8785
216 HPY 0.8776
217 BVG 0.8775
218 DBB 0.8774
219 J1Z 0.8773
220 SYN 0.8770
221 IPH 0.8769
222 P22 0.8766
223 HY3 0.8763
224 JZ5 0.8762
225 PYM 0.8761
226 SMV 0.8761
227 ECE 0.8760
228 NIS 0.8758
229 HAI 0.8757
230 6HQ 0.8757
231 SKG 0.8755
232 NAK 0.8754
233 PBE 0.8750
234 RP7 0.8741
235 2IM 0.8740
236 HIO 0.8738
237 V1L 0.8737
238 URQ 0.8734
239 40O 0.8726
240 FPI 0.8723
241 APY 0.8712
242 HVQ 0.8706
243 BVC 0.8706
244 MZ0 0.8706
245 TAN 0.8703
246 NCM 0.8699
247 PAV 0.8698
248 BUO 0.8698
249 L60 0.8697
250 TMH 0.8697
251 CAQ 0.8695
252 RUU 0.8691
253 ICC 0.8689
254 YCP 0.8683
255 SVJ 0.8683
256 MB3 0.8680
257 1DV 0.8674
258 3ZQ 0.8671
259 0MK 0.8669
260 285 0.8665
261 HSM 0.8665
262 TNE 0.8657
263 ABN 0.8657
264 CSS 0.8656
265 UY7 0.8655
266 CEJ 0.8653
267 BEW 0.8648
268 5AC 0.8643
269 NBE 0.8642
270 SS2 0.8641
271 DFU 0.8639
272 O7U 0.8639
273 1MR 0.8639
274 URF 0.8638
275 OXQ 0.8638
276 3PG 0.8638
277 9PO 0.8635
278 BEZ 0.8634
279 6PC 0.8634
280 TB0 0.8631
281 HBX 0.8628
282 PTO 0.8626
283 FPY 0.8624
284 PYJ 0.8624
285 HRZ 0.8616
286 JZ3 0.8610
287 PMB 0.8608
288 8FH 0.8607
289 5Y9 0.8606
290 NBZ 0.8606
291 93B 0.8606
292 HVK 0.8605
293 3AP 0.8604
294 282 0.8596
295 MBN 0.8596
296 NCA 0.8594
297 2AP 0.8593
298 GAG 0.8589
299 4AP 0.8588
300 DUC 0.8587
301 ISU 0.8581
302 FAC 0.8580
303 BEN 0.8577
304 IDM 0.8572
305 MRZ 0.8572
306 B24 0.8570
307 M58 0.8557
308 LGA 0.8552
309 TF4 0.8551
310 BAM 0.8545
311 GXE 0.8544
312 284 0.8530
313 NIO 0.8525
314 280 0.8517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5V3D; Ligand: FCN; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 5v3d.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2P7Q GG6 48.1203
2 2P7Q GG6 48.1203
3 2P7Q GG6 48.1203
Pocket No.: 2; Query (leader) PDB : 5V3D; Ligand: FCN; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 5v3d.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2P7Q GG6 48.1203
2 2P7Q GG6 48.1203
3 2P7Q GG6 48.1203
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