Receptor
PDB id Resolution Class Description Source Keywords
1X92 2.3 Å EC: 5.-.-.- CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PHOSPHOHEPTOSE ISOMERASE IN COMPLEX WITH REACTION PRODUCT D-GLYCERO-D- M ANNOPYRANOSE-7-PHOSPHATE PSEUDOMONAS AERUGINOSA MIDWEST CENTRE FOR STRUCTURAL GENOMICS SIS DOMAIN A/B PROTEIN LIPOPOLYSACCHARIDE BIOSYNTHESIS PSI PROTEIN STRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG ISOMERASE
Ref.: STRUCTURE AND FUNCTION OF SEDOHEPTULOSE-7-PHOSPHATE ISOMERASE, A CRITICAL ENZYME FOR LIPOPOLYSACCHARIDE BIOSYNTHESIS AND A TARGET FOR ANTIBIOTIC ADJUVANTS. J.BIOL.CHEM. V. 283 2835 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M7P A:302;
B:301;
Valid;
Valid;
none;
none;
submit data
290.162 C7 H15 O10 P C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1X92 2.3 Å EC: 5.-.-.- CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PHOSPHOHEPTOSE ISOMERASE IN COMPLEX WITH REACTION PRODUCT D-GLYCERO-D- M ANNOPYRANOSE-7-PHOSPHATE PSEUDOMONAS AERUGINOSA MIDWEST CENTRE FOR STRUCTURAL GENOMICS SIS DOMAIN A/B PROTEIN LIPOPOLYSACCHARIDE BIOSYNTHESIS PSI PROTEIN STRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG ISOMERASE
Ref.: STRUCTURE AND FUNCTION OF SEDOHEPTULOSE-7-PHOSPHATE ISOMERASE, A CRITICAL ENZYME FOR LIPOPOLYSACCHARIDE BIOSYNTHESIS AND A TARGET FOR ANTIBIOTIC ADJUVANTS. J.BIOL.CHEM. V. 283 2835 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 1X92 - M7P C7 H15 O10 P C([C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 1X92 - M7P C7 H15 O10 P C([C@H]([C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1X92 - M7P C7 H15 O10 P C([C@H]([C....
2 2XBL - M7P C7 H15 O10 P C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: M7P; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 M7P 1 1
2 GMB 0.576923 0.97561
3 289 0.511111 0.658537
4 GMH 0.511111 0.658537
5 S7P 0.421053 0.863636
6 OI7 0.4 0.863636
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1X92; Ligand: M7P; Similar sites found: 254
This union binding pocket(no: 1) in the query (biounit: 1x92.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1H8G CHT 0.001908 0.4784 None
2 3S9K CIT 0.002818 0.4635 None
3 4N7C AEF 0.0007125 0.46069 None
4 1Y2W NAG 0.001258 0.44223 None
5 3GM5 CIT 0.001598 0.43774 None
6 3BY8 MLT 0.002738 0.43449 None
7 3QDT A2G GAL 0.004527 0.43177 None
8 3QDY A2G GAL 0.004601 0.43144 None
9 1B55 4IP 0.000546 0.42843 None
10 3QDY CBS 0.004534 0.42466 None
11 2W3L DRO 0.01167 0.4195 None
12 1XX4 BAM 0.01489 0.41432 None
13 2PT9 2MH 0.007596 0.41294 None
14 3NBC LAT 0.01248 0.40855 None
15 1UW1 ADP 0.006195 0.40659 None
16 3IU9 T07 0.03109 0.40565 None
17 4INB 1F6 0.004038 0.40484 None
18 2VKL MLT 0.03193 0.40483 None
19 3BHO B4P 0.007832 0.43619 1.00503
20 1R6W 164 0.0013 0.417 1.00503
21 4EXO PYR 0.008442 0.41911 1.36986
22 1C1L GAL BGC 0.001311 0.44882 1.45985
23 1G0N NDP 0.001124 0.45145 1.50754
24 2O2C G6Q 0.0007643 0.43184 1.50754
25 1Z44 NPO 0.01737 0.42687 1.50754
26 1IYE PGU 0.003769 0.42158 1.50754
27 1G0N PHH 0.01023 0.41482 1.50754
28 1OGD RIP 0.00228 0.41874 1.52672
29 3DDC GNP 0.007556 0.40268 1.84049
30 1YOA FMN 0.001228 0.48866 1.88679
31 1T10 F6P 0.001152 0.43701 2.01005
32 2P1M IHP 0.001753 0.42749 2.01005
33 4C0X AQN 0.004327 0.41917 2.01005
34 4C0X FMN 0.003218 0.41871 2.01005
35 2P1O IHP 0.004411 0.41753 2.01005
36 2P1O NLA 0.004411 0.41753 2.01005
37 3M0J OAF 0.005651 0.41452 2.01005
38 1C0I BE2 0.01539 0.41086 2.01005
39 1C0I FAD 0.01539 0.41086 2.01005
40 1MVN PCO 0.03923 0.40024 2.01005
41 1VQ2 DDN 0.008001 0.43345 2.07254
42 4JCA CIT 0.009353 0.43225 2.39521
43 2HJ3 FAD 0.004851 0.40364 2.4
44 2ZJ3 G6P 0.00117 0.45372 2.51256
45 2Y7P SAL 0.0003422 0.4518 2.51256
46 4KQI NIO 0.0007372 0.44996 2.51256
47 4KQI RBZ 0.0007372 0.44996 2.51256
48 3P3N AKG 0.001981 0.43372 2.51256
49 3KJI ADP 0.0007534 0.42577 2.51256
50 1LTH NAD 0.01146 0.42529 2.51256
51 2OWZ CIT 0.003343 0.4239 2.51256
52 2NVK NAP 0.002057 0.42053 2.51256
53 4LZJ 22H 0.0001776 0.40669 2.51256
54 1WDA BAG 0.003906 0.40412 2.51256
55 1HDR NAD 0.026 0.4035 2.51256
56 1ZZ7 S0H 0.001686 0.424 2.52525
57 2OFE NAG 0.00171 0.43647 2.8169
58 1BTN I3P 0.0004286 0.51577 2.83019
59 2WGC SIA GAL BGC 0.006603 0.44948 2.92398
60 1WGC SIA GAL BGC 0.02626 0.40921 2.92398
61 1W3R PYR 0.001443 0.45495 3.01508
62 2DTX BMA 0.001878 0.44338 3.01508
63 2V5E SCR 0.007651 0.43671 3.01508
64 4R33 SAH 0.002885 0.42879 3.01508
65 4R33 TRP 0.002885 0.42879 3.01508
66 3QV9 QV7 0.002434 0.42349 3.01508
67 4W6Z ETF 0.009766 0.4233 3.01508
68 1Q11 TYE 0.002083 0.42031 3.01508
69 2OD9 A1R NCA 0.004183 0.41845 3.01508
70 1RZM PEP 0.002407 0.41779 3.01508
71 1GJW GLC 0.007178 0.41569 3.01508
72 4OYA 1VE 0.0474 0.41366 3.01508
73 4UP4 NAG 0.02353 0.41075 3.01508
74 4UP4 NDG 0.02353 0.41075 3.01508
75 1QDS PGA 0.001948 0.41061 3.01508
76 1NZY BCA 0.005853 0.40992 3.01508
77 2V6O FAD 0.04202 0.40718 3.01508
78 3MPI GRA 0.02511 0.40704 3.01508
79 1A8R GTP 0.003923 0.40531 3.01508
80 4IXW IXW 0.004598 0.40137 3.01508
81 4LTN FMN 0.02139 0.40313 3.04569
82 1TUV VK3 0.009023 0.42498 3.50877
83 2Q1A 2KT 0.0005471 0.45782 3.51759
84 2JFV FLC 0.0006294 0.45519 3.51759
85 1TDF FAD 0.002888 0.44248 3.51759
86 1TDF NAP 0.006489 0.44248 3.51759
87 2DWU DGL 0.0004277 0.44142 3.51759
88 1RYI GOA 0.01315 0.43856 3.51759
89 3LTW HLZ 0.002753 0.42755 3.51759
90 1KOL NAD 0.003798 0.42749 3.51759
91 1XVV CCQ 0.005294 0.42476 3.51759
92 1O9U ADZ 0.01282 0.41751 3.51759
93 3WCS MAN NAG 0.0004096 0.41436 3.51759
94 1ZK7 FAD 0.01366 0.41305 3.51759
95 2D0V PQQ 0.002741 0.41122 3.51759
96 3CEV ARG 0.002595 0.41102 3.51759
97 3WCS MAN NAG GAL 0.001006 0.41075 3.51759
98 3ZRR PXG 0.003463 0.40736 3.51759
99 2C5S AMP 0.003531 0.40583 3.51759
100 4RJK PYR 0.01693 0.40493 3.51759
101 4IVG ANP 0.02797 0.40287 3.51759
102 1ZJ6 G3D 0.001728 0.40757 3.74332
103 3R51 MMA 0.006313 0.43255 3.75
104 1QW9 KHP 0.0003678 0.45397 4.0201
105 3AHC TPP 0.0005435 0.45378 4.0201
106 2YIV YIV 0.003048 0.4398 4.0201
107 3U1T MLI 0.003444 0.43002 4.0201
108 3CQD ATP 0.003889 0.42818 4.0201
109 3FPZ AHZ 0.01622 0.42796 4.0201
110 2C31 ADP 0.01842 0.42227 4.0201
111 4M51 BEZ 0.008002 0.4202 4.0201
112 2DKH 3HB 0.01256 0.4092 4.0201
113 3RFV NAI 0.006173 0.409 4.0201
114 1TUF AZ1 0.005165 0.40761 4.0201
115 4C1K PEP 0.0006875 0.40271 4.0201
116 4U36 TNR 0.007272 0.40182 4.0201
117 3RFV 15L 0.00898 0.40118 4.0201
118 1TU3 GNP 0.007571 0.40264 4.09357
119 4HA6 FAD 0.01944 0.40488 4.33071
120 1RYD NDP 0.005361 0.42245 4.52261
121 1ZUW DGL 0.0006874 0.41099 4.52261
122 4NE2 ADP 0.01284 0.40254 4.52261
123 4NE2 SH2 0.01453 0.40254 4.52261
124 3WBF NAP 0.01118 0.40011 4.52261
125 1SS4 GSH 0.002196 0.48058 4.57516
126 1SS4 CIT 0.003058 0.47019 4.57516
127 3UEC ALA ARG TPO LYS 0.003748 0.42837 4.79452
128 1F1V DHY 0.0006117 0.43539 5.02513
129 1JA9 NDP 0.01228 0.42898 5.02513
130 1SOW NAD 0.003645 0.42344 5.02513
131 2YBQ SAH 0.001701 0.41906 5.02513
132 2X61 CH 0.01002 0.41328 5.02513
133 3TFC PEP 0.003837 0.40965 5.02513
134 1QS0 TDP 0.003252 0.4084 5.02513
135 3NYQ AMP 0.01028 0.40645 5.02513
136 3NYQ MCA 0.009621 0.40645 5.02513
137 1H2B NAJ 0.01094 0.40536 5.02513
138 4Q3R XA2 0.008249 0.40119 5.02513
139 5AOA PPI 0.01564 0.40045 5.02513
140 3RF4 FUN 0.002216 0.41923 5.17241
141 1C7R PA5 0.0002126 0.43444 5.52764
142 4AMV F6R 0.0007296 0.43391 5.52764
143 1D6H COA 0.006478 0.42497 5.52764
144 9LDT OXM 0.01305 0.42483 5.52764
145 1MOQ GLP 0.0008998 0.41405 5.52764
146 1YOE RIB 0.005316 0.41296 5.52764
147 1KOJ PAN 0.0006442 0.41104 5.52764
148 3FW3 GLC 0.02665 0.40947 5.52764
149 3LZW FAD 0.01316 0.40739 5.52764
150 3LZW NAP 0.03371 0.4041 5.52764
151 2BZ1 TAU 0.0002142 0.52925 5.61225
152 1I0Z OXM 0.003246 0.44665 6.03015
153 1Z45 NAD 0.002107 0.43033 6.03015
154 2BO4 FLC 0.008043 0.41347 6.03015
155 2YVF FAD 0.02335 0.41239 6.03015
156 2ZWS PLM 0.03447 0.41073 6.03015
157 1NVU GTP 0.02348 0.409 6.03015
158 4NTD FAD 0.01306 0.40753 6.03015
159 1LC8 33P 0.009269 0.40063 6.03015
160 3P7I P7I 0.006557 0.40029 6.03015
161 3CQ5 PMP 0.004978 0.40003 6.03015
162 2F01 BTQ 0.04711 0.4012 6.29921
163 1FIQ MTE 0.0121 0.4 6.39269
164 2V7T SAH 0.0151 0.43327 6.53266
165 3MD0 GDP 0.001565 0.41956 6.53266
166 4BAS GNP 0.002958 0.41184 6.53266
167 1ECC PCP 0.003878 0.41082 6.53266
168 2Z9V PXM 0.003776 0.40993 6.53266
169 2H8Z 8CM 0.01091 0.40052 6.53266
170 2H8Z FMN 0.01091 0.40052 6.53266
171 2P41 SAH 0.004733 0.40031 6.53266
172 3H22 B53 0.0001771 0.43726 7.03518
173 2ZJ5 ADP 0.002523 0.42284 7.03518
174 1T0S BML 0.00891 0.41801 7.03518
175 1XHL NDP 0.006344 0.41375 7.03518
176 1LVL FAD 0.01443 0.41035 7.03518
177 4BI7 PGA 0.0009389 0.40644 7.03518
178 3HF3 FMN 0.005017 0.40482 7.03518
179 1LYX PGA 0.001445 0.40337 7.03518
180 2XVE FAD 0.04383 0.40088 7.03518
181 3BRE C2E 0.002695 0.42794 7.53769
182 2EB5 OXL 0.004444 0.41857 7.53769
183 1B9I PXG 0.003278 0.41364 7.53769
184 1L2T ATP 0.004445 0.40853 7.53769
185 1GSA ADP 0.004844 0.40541 7.53769
186 1OAA OAA 0.01895 0.40535 7.53769
187 1XE7 GUN 0.02802 0.40082 7.53769
188 4LSJ LSJ 0.005837 0.40057 7.53769
189 2Q8H TF4 0.001393 0.46455 8.0402
190 1DSS NAD 0.006617 0.40494 8.0402
191 1V2X SAM 0.005168 0.40077 8.24742
192 3ZOD FMN 0.003158 0.41903 8.37696
193 3ZOD HQE 0.003158 0.41903 8.37696
194 4M5P MLA 0.0008837 0.48454 8.54271
195 3UH0 TSB 0.0003474 0.45128 8.54271
196 4B9E FAH 0.004043 0.42689 8.54271
197 2AMV BIN 0.008645 0.42477 8.54271
198 3GE7 AFQ 0.00389 0.42355 8.54271
199 4M5P 23W 0.0142 0.40852 8.54271
200 3Q9T FAY 0.01856 0.4012 8.54271
201 2Z48 A2G 0.01657 0.40115 8.54271
202 1EXB NDP 0.02524 0.41614 8.73786
203 2O66 FLC 0.003706 0.41589 8.88889
204 1EDO NAP 0.02627 0.41425 9.04523
205 4GLJ RHB 0.007845 0.41003 9.04523
206 4COQ SAN 0.009442 0.40441 9.04523
207 1QO0 BMD 0.003532 0.42287 9.18367
208 3L6R MLI 0.001743 0.44328 9.54774
209 2ZYF AKG 0.001107 0.42539 9.54774
210 2BOI MFU 0.004253 0.40785 9.73451
211 2HFK E4H 0.002338 0.4183 10.0313
212 2POC BG6 0.001415 0.42931 10.0503
213 4KCT PYR 0.001269 0.42309 10.0503
214 1Q0H NDP 0.01796 0.40962 10.0503
215 1KTC NGA 0.004828 0.40564 10.0503
216 1Y7P RIP 0.00908 0.40515 10.0503
217 1Q0H FOM 0.02128 0.40488 10.0503
218 1AX2 NDG GAL 0.0007244 0.40178 10.0503
219 2Q1S NAI 0.02502 0.40025 10.0503
220 1VDC FAD 0.01125 0.41828 11.0553
221 1MDZ DCS 0.009268 0.40828 12.0603
222 1MDZ PLP 0.008666 0.40828 12.0603
223 2YPO PHE 0.01012 0.40311 12.0603
224 1VJO PLP 0.00183 0.41149 12.5628
225 1R6D DAU 0.03174 0.40192 12.5628
226 1ULE GLA GAL NAG 0.009737 0.41621 12.6667
227 3ACC 5GP 0.0007928 0.40825 12.7072
228 1Y75 NAG 0.001264 0.42315 12.7119
229 1D09 PAL 0.04642 0.41637 13.0653
230 3ZY6 GFB 0.00448 0.40496 13.0653
231 1LCP PLU 0.005275 0.40879 13.5678
232 1SC3 MLI 0.006214 0.42534 13.6364
233 2BLE 5GP 0.005158 0.44041 14.0704
234 1H9G COA MYR 0.007521 0.40421 14.0704
235 2XBP ATP 0.01947 0.40693 14.1593
236 1NU4 MLA 0.005816 0.4428 14.433
237 1OLS TDP 0.00293 0.44037 14.5729
238 4IVN BMX 0.0006922 0.42796 14.5729
239 4KXV TDP DX5 0.001837 0.44268 15.0754
240 2F2U M77 0.002557 0.40617 15.0754
241 4F8L GAL 0.002826 0.46925 15.1724
242 1LL2 UPG 0.0009266 0.43107 16.0804
243 2JBZ COA 0.01178 0.4162 17.4825
244 1H16 DTL 0.009943 0.42291 18.0905
245 1H16 PYR 0.01215 0.4117 18.0905
246 3TKA CTN 0.0006449 0.51507 19.598
247 4BMO FMN 0.002839 0.41932 20.1005
248 2XDQ MGX 0.01912 0.40899 20.603
249 4KCF AKM 0.005978 0.40355 22.1106
250 2DTJ THR 0.00117 0.40857 24.6231
251 1Q3Q ANP 0.03779 0.40128 24.6231
252 2C7G FAD 0.03544 0.40186 29.1457
253 2C7G ODP 0.03772 0.40001 29.1457
254 1C4U IH1 0.003093 0.40826 44.4444
Pocket No.: 2; Query (leader) PDB : 1X92; Ligand: M7P; 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: 1x92.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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