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 6 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 6 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 3 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: 190
This union binding pocket(no: 1) in the query (biounit: 4jh6.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1WUB OTP 0.005543 0.45715 None
2 5H9Q TD2 0.0009883 0.44861 None
3 4AZP A9M 0.004119 0.44256 None
4 5ML3 DL3 0.008955 0.44098 None
5 1FDQ HXA 0.009304 0.4305 None
6 1KGI T4A 0.007805 0.42852 None
7 1N5S ADL 0.005786 0.42397 None
8 2Z77 HE7 0.01008 0.42288 None
9 4OCT AKG 0.004596 0.42179 None
10 3ZXE PGZ 0.001015 0.42142 None
11 5BVS EIC 0.0111 0.41009 None
12 3QP8 HL0 0.01283 0.40898 None
13 2QO4 CHD 0.02682 0.40797 None
14 4RFR RHN 0.01481 0.40776 None
15 3WG3 A2G GAL NAG FUC 0.008917 0.40542 None
16 1KQW RTL 0.0157 0.40463 None
17 5FQK 6NT 0.01362 0.40352 None
18 2JEN GLC GLC BGC XYS BGC XYS 0.02163 0.40294 None
19 4FFG 0U8 0.002184 0.4275 1.44928
20 3FW4 CAQ 0.01375 0.41756 1.44928
21 4IAW LIZ 0.008336 0.40938 1.44928
22 5ISY NAD 0.01183 0.40441 1.44928
23 3O2K DST 0.008207 0.40201 1.44928
24 1N9L FMN 0.001749 0.45375 1.83486
25 1GQG DCD 0.005039 0.43646 2.17391
26 1TT8 PHB 0.01073 0.42452 2.17391
27 5BYZ 4WE 0.02034 0.41546 2.17391
28 2RDQ AKG 0.01288 0.41428 2.17391
29 4MP8 NAD 0.03493 0.41049 2.17391
30 2QZ3 XYP XYP XYP 0.01887 0.40593 2.17391
31 4BX7 B4F 0.0192 0.41294 2.25564
32 1T27 PCW 0.009741 0.44402 2.89855
33 3N0Y APC 0.01388 0.41585 2.89855
34 1ERB ETR 0.02353 0.40838 2.89855
35 3PQB VGP 0.004642 0.43651 3.62319
36 1OLM VTQ 0.009528 0.42859 3.62319
37 4OMJ 2TX 0.01379 0.42665 3.62319
38 3AGC RCC 0.02774 0.40468 3.62319
39 4EUU BX7 0.02618 0.40465 3.62319
40 2CSN CKI 0.02662 0.40427 3.62319
41 5LUN OGA 0.01398 0.40057 3.62319
42 3FW9 SLX 0.02096 0.40023 3.62319
43 3ZGJ RMN 0.00001726 0.52453 4.34783
44 3E2M E2M 0.0003875 0.49622 4.34783
45 4D06 NAR 0.001554 0.46028 4.34783
46 1MH5 HAL 0.004098 0.4443 4.34783
47 4YLZ LAT NAG GAL 0.0009134 0.43588 4.34783
48 1LBF 137 0.007071 0.43523 4.34783
49 3LVW GSH 0.02235 0.41888 4.34783
50 2JLD AG1 0.0194 0.41888 4.34783
51 1MJJ HAL 0.0145 0.41638 4.34783
52 3HX3 RET 0.01063 0.41302 4.34783
53 1NYW DAU 0.01286 0.4108 4.34783
54 4QCK ASD 0.01007 0.41004 4.34783
55 1UNB PN1 0.02621 0.4097 4.34783
56 1UNB AKG 0.02351 0.4097 4.34783
57 1LNM DTX 0.01538 0.40871 4.34783
58 3HXG GTA 0.01097 0.40823 4.34783
59 2EQA AMP 0.02151 0.40764 4.34783
60 4NW6 2NS 0.03438 0.40466 4.34783
61 1PZX PLM 0.0212 0.40338 4.34783
62 5CJ3 52G 0.03191 0.40522 4.44444
63 5LN8 GAL 0.005754 0.41432 4.58015
64 1P0Z FLC 0.005523 0.40004 4.58015
65 2Z6D FMN 0.00619 0.42657 4.61538
66 1Y0G 8PP 0.005372 0.45788 5.07246
67 5T7I LAT NAG GAL 0.001219 0.45492 5.07246
68 1ZB6 DIN 0.004227 0.44813 5.07246
69 2GJ5 VD3 0.007935 0.44376 5.07246
70 2GC0 PAN 0.002599 0.44316 5.07246
71 5EOB 5QQ 0.01404 0.44293 5.07246
72 3D72 FAD 0.008112 0.43622 5.07246
73 3IS2 FAD 0.009464 0.43012 5.07246
74 1ZB6 GST 0.01322 0.42394 5.07246
75 2FB3 GTP 0.01475 0.42148 5.07246
76 3M3R BCD 0.02496 0.41928 5.07246
77 3E8T UQ8 0.04279 0.41756 5.07246
78 5IXG OTP 0.03475 0.41671 5.07246
79 5A5W GUO 0.04797 0.40487 5.07246
80 4HMT FMN 0.0269 0.40404 5.07246
81 4HMT NNV 0.02854 0.40404 5.07246
82 4H2V AMP 0.004754 0.43599 5.7971
83 3MF2 AMP 0.005274 0.43547 5.7971
84 2V0U FMN 0.004432 0.43376 5.7971
85 2HZQ STR 0.001025 0.43324 5.7971
86 5IXH OTP 0.01753 0.4303 5.7971
87 3P7N FMN 0.005507 0.42909 5.7971
88 2CM4 RCL 0.007668 0.42559 5.7971
89 5H9P TD2 0.00254 0.42432 5.7971
90 1LN1 DLP 0.01735 0.42143 5.7971
91 2WK9 PLG 0.02361 0.41439 5.7971
92 4J7Q B7N 0.02684 0.41361 5.7971
93 1REQ DCA 0.04625 0.40829 5.7971
94 4H2X G5A 0.02102 0.40018 5.7971
95 1J3R 6PG 0.002846 0.43177 6.52174
96 3E8N ATP 0.02668 0.42131 6.52174
97 2YG2 S1P 0.01303 0.41566 6.52174
98 4P25 FUC GAL NAG FUC 0.009409 0.41563 6.52174
99 2YG2 FLC 0.01694 0.41436 6.52174
100 2TPS TPS 0.02398 0.40661 6.52174
101 4P7X AKG 0.01745 0.40236 6.52174
102 2IFB PLM 0.0003675 0.49359 6.87023
103 1SN0 T44 0.01311 0.40226 6.92308
104 5DQ8 FLF 0.00162 0.46302 7.24638
105 5IH9 6BF 0.02273 0.41744 7.24638
106 2C49 ADN 0.009349 0.41577 7.24638
107 3W68 VIV 0.01341 0.41504 7.24638
108 5KEW 6SB 0.007931 0.4133 7.24638
109 1H8S AIC 0.006323 0.41254 7.24638
110 1AJ0 SAN 0.01465 0.40977 7.24638
111 2I6A 5I5 0.01613 0.40591 7.24638
112 4QDF 30Q 0.01434 0.40463 7.24638
113 5A3T MMK 0.03676 0.40199 7.24638
114 2OVD DAO 0.005539 0.40174 7.24638
115 4MNS 2AX 0.0009903 0.50221 7.97101
116 3Q8G PEE 0.01906 0.43637 7.97101
117 4HIA FMN 0.01007 0.43611 7.97101
118 2ZYI STE 0.0114 0.42172 7.97101
119 4Q0L V14 0.01385 0.41885 7.97101
120 4V24 GYR 0.01551 0.4149 7.97101
121 1ZHX HC3 0.03149 0.4005 7.97101
122 2HKA C3S 0.01568 0.40652 8.46154
123 2Z6C FMN 0.003584 0.43833 8.52713
124 3T50 FMN 0.006919 0.42417 8.59375
125 3MTX PGT 0.003522 0.45632 8.69565
126 2XMY CDK 0.01559 0.44662 8.69565
127 3A7R LAQ 0.008348 0.4415 8.69565
128 1AJS PLA 0.007125 0.43053 8.69565
129 1KW6 BPY 0.004191 0.42104 8.69565
130 2YVO AMP 0.009785 0.42195 8.79121
131 1TFZ 869 0.00002045 0.5518 9.42029
132 2A4W BLM 0.002827 0.45711 9.42029
133 4MUV PCG 0.01315 0.40647 9.42029
134 2WL9 MBD 0.005273 0.40352 9.42029
135 4H6B 10X 0.01384 0.4011 9.42029
136 4EES FMN 0.003303 0.44204 9.56522
137 3T0X DIW 0.0163 0.40188 9.7561
138 4FHD EEM 0.005032 0.44827 10.1449
139 4FHD 0TT 0.005032 0.44827 10.1449
140 3B1Q NOS 0.003274 0.44027 10.1449
141 3RGA LSB 0.002943 0.43834 10.1449
142 4WW7 AMP 0.01184 0.41612 10.1449
143 3E85 BSU 0.03512 0.4113 10.1449
144 1E1O LYS 0.02789 0.40322 10.1449
145 3OYW TDG 0.00246 0.42537 10.4478
146 1GP6 QUE 0.003384 0.4501 10.8696
147 1GP6 SIN 0.003156 0.45005 10.8696
148 4U03 GTP 0.0107 0.42737 10.8696
149 4O9S 2RY 0.01746 0.41078 10.8696
150 2GQS C2R 0.01309 0.40448 10.8696
151 2A1L PCW 0.01409 0.43631 11.5942
152 3FP0 FP0 0.01518 0.40722 11.5942
153 3G08 FEE 0.02607 0.42885 12.1212
154 3RUG DB6 0.03081 0.42037 12.1212
155 4OPC FDA 0.0172 0.45916 12.3188
156 4OPC PGT 0.04947 0.43491 12.3188
157 5GLT BGC GAL NAG GAL 0.0002313 0.41916 12.3188
158 2ZHL NAG GAL GAL NAG 0.00496 0.40176 12.3188
159 2YGN PCF 0.0369 0.40073 12.3188
160 5NCF 8T5 0.006989 0.40338 12.3894
161 2R5V HHH 0.00005826 0.51578 13.0435
162 5DJT FMN 0.006173 0.42663 13.1148
163 4WVW SLT 0.0001817 0.50245 13.7681
164 4GCZ FMN 0.003274 0.44028 13.7681
165 2RKV COA 0.03264 0.40805 13.7681
166 2RKV ZBA 0.03722 0.40805 13.7681
167 2X5F PLP 0.009665 0.40629 13.7681
168 3S7O LBV 0.03698 0.40299 13.7681
169 3VQ2 LP4 LP5 MYR DAO 0.009775 0.44394 14.4928
170 2XK9 XK9 0.007979 0.44142 14.4928
171 4BVA T3 0.01261 0.43513 14.4928
172 3F5K CE5 0.03593 0.40011 14.4928
173 4K3H 1OM 0.01741 0.40602 16.1017
174 1SQI 869 0.00001307 0.55328 16.6667
175 4YZC STU 0.01502 0.42803 16.6667
176 4R38 RBF 0.008927 0.42052 16.6667
177 5U98 1KX 0.0459 0.40591 16.6667
178 3L9R L9R 0.02974 0.41327 17.3469
179 3MHA Z69 0.01367 0.42053 17.3913
180 2E56 MYR 0.03918 0.40053 18.8406
181 2FTB OLA 0.002949 0.46411 19.2
182 4BVM PLM 0.01771 0.40732 21.8045
183 5BU3 4W9 0.004219 0.43858 22.4638
184 3HPY MCT 0.006113 0.40868 26.8116
185 2IGA XX3 0.0009852 0.40731 28.2609
186 1F1V DHY 0.006308 0.41259 28.9855
187 4WO4 JLS 0.03113 0.41504 30.4348
188 2YAK OSV 0.01353 0.42342 39.8551
189 3PDB PMP 0.008238 0.41203 39.8551
190 1NKI PPF 0.000000004873 0.68287 48.8889
Pocket No.: 2; Query (leader) PDB : 4JH6; Ligand: FCN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4jh6.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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