Receptor
PDB id Resolution Class Description Source Keywords
4c4r 1.1 Å EC: 5.4.2.6 STRUCTURE OF BETA-PHOSPHOGLUCOMUTASE IN COMPLEX WITH A PHOSP ANALOGUE OF BETA-GLUCOSE-1-PHOSPHATE AND MAGNESIUM TRIFLUOR LACTOCOCCUS LACTIS PHOSPHORYL TRANSFER TRANSITION STATE METAL FLUORIDE MUTASISOMERASE
Ref.: ALPHA-FLUOROPHOSPHONATES REVEAL HOW A PHOSPHOMUTASE CONSERVES TRANSITION STATE CONFORMATION OVER HEXOSE RECOGNITION IN ITS TWO-STEP REACTION. PROC.NATL.ACAD.SCI.USA V. 111 12384 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MGF A:1221;
 Invalid;
 none;
 submit data
81.3 F3 Mg F[Mg-...
MG A:1219;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
YO5 A:1220;
 Valid;
 none;
 Kd = 1.3 mM
258.163 C7 H15 O8 P C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Z4O 1.9 Å EC: 5.4.2.6 STRUCTURE OF BETA-PHOSPHOGLUCOMUTASE WITH INHIBITOR BOUND AL GALACTOSE 1-PHOSPHATE LACTOCOCCUS LACTIS ISOMERASE BETA-PHOSPHOGLUCOMUTASE
Ref.: CHEMICAL CONFIRMATION OF A PENTAVALENT PHOSPHORANE COMPLEX WITH BETA-PHOSPHOGLUCOMUTASE J.AM.CHEM.SOC. V. 127 5298 2005
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WF8 - BG6 C6 H13 O9 P C([C@@H]1[....
2 5OLY - G6P MGF n/a n/a
3 2WF9 - BG6 C6 H13 O9 P C([C@@H]1[....
4 4C4R Kd = 1.3 mM YO5 C7 H15 O8 P C([C@@H]1[....
5 6YDM - CIT C6 H8 O7 C(C(=O)O)C....
6 1Z4O Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
7 5OLX - BG6 MGF n/a n/a
8 2WF5 - BG6 MGF n/a n/a
9 4C4S Kd = 0.66 mM GRX C7 H14 F O8 P C([C@@H]1[....
10 6YDJ - BG6 C6 H13 O9 P C([C@@H]1[....
11 4C4T - GRX C7 H14 F O8 P C([C@@H]1[....
12 1O03 - G16 C6 H13 O12 P2 C([C@@H]1[....
13 1Z4N Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WF8 - BG6 C6 H13 O9 P C([C@@H]1[....
2 5OLY - G6P MGF n/a n/a
3 2WF9 - BG6 C6 H13 O9 P C([C@@H]1[....
4 4C4R Kd = 1.3 mM YO5 C7 H15 O8 P C([C@@H]1[....
5 6YDM - CIT C6 H8 O7 C(C(=O)O)C....
6 1Z4O Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
7 5OLX - BG6 MGF n/a n/a
8 2WF5 - BG6 MGF n/a n/a
9 4C4S Kd = 0.66 mM GRX C7 H14 F O8 P C([C@@H]1[....
10 6YDJ - BG6 C6 H13 O9 P C([C@@H]1[....
11 4C4T - GRX C7 H14 F O8 P C([C@@H]1[....
12 1O03 - G16 C6 H13 O12 P2 C([C@@H]1[....
13 1Z4N Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WF8 - BG6 C6 H13 O9 P C([C@@H]1[....
2 5OLY - G6P MGF n/a n/a
3 2WF9 - BG6 C6 H13 O9 P C([C@@H]1[....
4 4C4R Kd = 1.3 mM YO5 C7 H15 O8 P C([C@@H]1[....
5 6YDM - CIT C6 H8 O7 C(C(=O)O)C....
6 1Z4O Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
7 5OLX - BG6 MGF n/a n/a
8 2WF5 - BG6 MGF n/a n/a
9 4C4S Kd = 0.66 mM GRX C7 H14 F O8 P C([C@@H]1[....
10 6YDJ - BG6 C6 H13 O9 P C([C@@H]1[....
11 4C4T - GRX C7 H14 F O8 P C([C@@H]1[....
12 1O03 - G16 C6 H13 O12 P2 C([C@@H]1[....
13 1Z4N Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: YO5; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 GPM 1 1
2 YO5 1 1
3 JVA 0.547619 0.911111
4 FDQ 0.5 0.822222
5 XGP 0.454545 0.883721
6 G1P 0.454545 0.883721
7 GL1 0.454545 0.883721
8 M1P 0.454545 0.883721
9 R1P 0.418605 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: YO5; Similar ligands found: 324
No: Ligand Similarity coefficient
1 GRX 0.9769
2 NBG 0.9573
3 GL6 0.9506
4 IPD 0.9486
5 CR1 0.9463
6 9GP 0.9434
7 BGP 0.9314
8 M3Q 0.9224
9 NAG 0.9220
10 4KL 0.9203
11 2GQ 0.9199
12 IPT 0.9198
13 IOS 0.9187
14 NLA 0.9177
15 I4D 0.9175
16 DNC 0.9168
17 QMS 0.9167
18 KFN 0.9160
19 790 0.9156
20 JP2 0.9147
21 IBM 0.9141
22 5NS 0.9135
23 TQU 0.9129
24 7I2 0.9127
25 GNV 0.9126
26 NQH 0.9122
27 4GP 0.9119
28 KED 0.9114
29 2JK 0.9107
30 LIP 0.9106
31 I59 0.9105
32 JTH 0.9098
33 SG2 0.9090
34 LZ2 0.9082
35 ZON 0.9077
36 CIY 0.9069
37 ESI 0.9066
38 57O 0.9064
39 JR2 0.9064
40 G6P 0.9062
41 7ZC 0.9060
42 EXD 0.9059
43 KYA 0.9053
44 PLP 0.9051
45 MIG 0.9041
46 772 0.9039
47 STT 0.9034
48 JTA 0.9031
49 8G6 0.9029
50 LP8 0.9028
51 HPT 0.9020
52 T6Z 0.9009
53 BG6 0.9008
54 P84 0.8999
55 V1T 0.8997
56 NPL 0.8994
57 96U 0.8991
58 M4B 0.8990
59 F6P 0.8988
60 KTW 0.8984
61 IAC 0.8984
62 JV4 0.8980
63 PMP 0.8976
64 APS 0.8974
65 XFE 0.8970
66 A1Y 0.8964
67 SYR 0.8963
68 0XT 0.8961
69 PRZ 0.8957
70 2O6 0.8955
71 N7I 0.8953
72 TSR 0.8950
73 GFP 0.8946
74 HBO 0.8944
75 AMR 0.8936
76 MQG 0.8936
77 TXW 0.8936
78 CCV 0.8934
79 NPA 0.8928
80 L7T 0.8928
81 68A 0.8925
82 CSN 0.8924
83 15A 0.8922
84 GP1 0.8920
85 KDM 0.8919
86 ARP 0.8910
87 F5C 0.8909
88 UFO 0.8908
89 5OF 0.8906
90 9KH 0.8903
91 F52 0.8902
92 0W1 0.8902
93 0F9 0.8901
94 SBK 0.8899
95 9BF 0.8898
96 OX2 0.8897
97 GO8 0.8897
98 SRO 0.8897
99 BK9 0.8896
100 9FE 0.8887
101 774 0.8886
102 9F8 0.8886
103 2T4 0.8885
104 ZIQ 0.8884
105 3RI 0.8881
106 8GK 0.8880
107 QZ8 0.8879
108 IL5 0.8879
109 1X8 0.8878
110 692 0.8877
111 KG1 0.8877
112 VXX 0.8875
113 JF2 0.8875
114 B4O 0.8874
115 96R 0.8874
116 DTR 0.8873
117 NTF 0.8871
118 4XY 0.8865
119 61M 0.8864
120 X0W 0.8863
121 H7Y 0.8861
122 I6G 0.8861
123 6DP 0.8860
124 YTX 0.8857
125 CKU 0.8857
126 505 0.8855
127 3Y7 0.8852
128 CHQ 0.8850
129 28S 0.8849
130 AY4 0.8847
131 1QV 0.8847
132 0FK 0.8846
133 AC2 0.8846
134 AX3 0.8844
135 OSB 0.8841
136 N2M 0.8841
137 H5B 0.8837
138 PXP 0.8836
139 IBC 0.8836
140 MIL 0.8836
141 M6D 0.8835
142 FER 0.8835
143 512 0.8834
144 67Y 0.8832
145 MXD 0.8825
146 GJK 0.8821
147 25O 0.8819
148 S0G 0.8819
149 5P3 0.8818
150 8WZ 0.8817
151 DXK 0.8817
152 7WR 0.8816
153 SNY 0.8816
154 NBV 0.8813
155 3DT 0.8813
156 MYI 0.8812
157 7MX 0.8812
158 FF2 0.8809
159 NGO 0.8808
160 ONR 0.8806
161 F1X 0.8805
162 MP5 0.8805
163 EMZ 0.8799
164 BB4 0.8797
165 GNM 0.8797
166 EGR 0.8796
167 30G 0.8796
168 M6P 0.8794
169 F2W 0.8793
170 6J9 0.8791
171 NCV 0.8790
172 MHK 0.8789
173 UFV 0.8788
174 TRP 0.8786
175 X04 0.8782
176 RH1 0.8782
177 3C4 0.8781
178 8U3 0.8779
179 HA5 0.8778
180 4R1 0.8774
181 GI1 0.8774
182 AZY 0.8773
183 GC2 0.8772
184 6GP 0.8771
185 KGK 0.8770
186 2UD 0.8768
187 XQK 0.8768
188 I7A 0.8768
189 M6Z 0.8767
190 2SX 0.8766
191 W8G 0.8765
192 EYA 0.8764
193 MUR 0.8762
194 15L 0.8762
195 78P 0.8760
196 PZP 0.8759
197 HHS 0.8757
198 EOL 0.8756
199 8W9 0.8754
200 BNX 0.8753
201 ABF 0.8752
202 OKM 0.8749
203 VNL 0.8747
204 MUX 0.8746
205 Q5M 0.8742
206 4OG 0.8742
207 EYM 0.8740
208 2V0 0.8737
209 4XV 0.8736
210 K68 0.8735
211 5JT 0.8734
212 ZME 0.8731
213 O2Y 0.8726
214 KLV 0.8724
215 2LT 0.8723
216 M5H 0.8723
217 L21 0.8721
218 54X 0.8721
219 2KU 0.8721
220 CTE 0.8721
221 ZYV 0.8720
222 N88 0.8719
223 TU0 0.8717
224 GT1 0.8714
225 P0P 0.8712
226 DNF 0.8710
227 DHY 0.8705
228 JAK 0.8704
229 NIY 0.8704
230 GT0 0.8704
231 3LJ 0.8699
232 F34 0.8697
233 2K8 0.8697
234 V2Z 0.8690
235 H2B 0.8689
236 HBI 0.8689
237 TA6 0.8689
238 4XS 0.8688
239 9UL 0.8687
240 1QP 0.8687
241 8HC 0.8685
242 BDP 0.8685
243 BOQ 0.8682
244 CPW 0.8682
245 THM 0.8678
246 372 0.8676
247 7AP 0.8674
248 5WU 0.8673
249 ET0 0.8673
250 CWD 0.8668
251 JUO 0.8668
252 8WT 0.8667
253 ANC 0.8665
254 RP5 0.8665
255 FWB 0.8663
256 ITW 0.8659
257 3IL 0.8658
258 MIF 0.8656
259 DK1 0.8656
260 BA5 0.8654
261 0DN 0.8649
262 EVF 0.8649
263 TSS 0.8644
264 ID2 0.8644
265 2CZ 0.8644
266 IWD 0.8640
267 M02 0.8635
268 BWD 0.8634
269 EXL 0.8632
270 MBG 0.8630
271 BPU 0.8627
272 E7R 0.8626
273 5V7 0.8625
274 MCY 0.8625
275 LTM 0.8624
276 SXX 0.8623
277 56N 0.8622
278 ZYR 0.8620
279 5BT 0.8620
280 HSX 0.8619
281 M78 0.8619
282 JXK 0.8616
283 6QF 0.8615
284 977 0.8614
285 H4B 0.8610
286 FWD 0.8609
287 SYE 0.8609
288 LTN 0.8609
289 PH2 0.8609
290 4ME 0.8609
291 MST 0.8608
292 B86 0.8607
293 61O 0.8606
294 PTS 0.8605
295 M1Z 0.8604
296 BIO 0.8604
297 S3C 0.8604
298 D6G 0.8604
299 ITP 0.8602
300 DAH 0.8600
301 MPK 0.8599
302 AH9 0.8595
303 SKF 0.8594
304 2LY 0.8593
305 89J 0.8591
306 2D3 0.8579
307 GHM 0.8578
308 KF5 0.8577
309 KJ5 0.8576
310 MMS 0.8576
311 GL4 0.8573
312 PLP PMP 0.8571
313 AZC 0.8566
314 4B0 0.8560
315 GLS 0.8560
316 CG8 0.8558
317 LJ3 0.8557
318 3D8 0.8554
319 8HH 0.8543
320 JXW 0.8539
321 GL2 0.8539
322 AH3 0.8530
323 S7G 0.8527
324 BQ5 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Z4O; Ligand: GL1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1z4o.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1Z4O; Ligand: GL1; 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: 1z4o.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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