Receptor
PDB id Resolution Class Description Source Keywords
3HZS 2.1 Å EC: 2.4.-.- S. AUREUS MONOFUNCTIONAL GLYCOSYLTRANSFERASE (MTGA)IN COMPLE MOENOMYCIN STAPHYLOCOCCUS AUREUS SUBSP. AUREUS TRANSGLYCOSYLASE PEPTIDOGLYCAN MONOFUNCTIONAL MOENOMYCINMEMBRANE CELL SHAPE CELL WALL BIOGENESIS/DEGRADATION GLYCOSYLTRANSFERASE MEMBRANE PEPTIDOGLYCAN SYNTHESIS TRATRANSMEMBRANE
Ref.: CHARACTERIZATION OF THE ACTIVE SITE OF S. AUREUS MONOFUNCTIONAL GLYCOSYLTRANSFERASE (MTG) BY SITE-DI MUTATION AND STRUCTURAL ANALYSIS OF THE PROTEIN COM WITH MOENOMYCIN J.STRUCT.BIOL. V. 167 129 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M0E A:901;
Valid;
none;
submit data
1580.57 C69 H106 N5 O34 P C[C@@...
PO4 A:1;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HZS 2.1 Å EC: 2.4.-.- S. AUREUS MONOFUNCTIONAL GLYCOSYLTRANSFERASE (MTGA)IN COMPLE MOENOMYCIN STAPHYLOCOCCUS AUREUS SUBSP. AUREUS TRANSGLYCOSYLASE PEPTIDOGLYCAN MONOFUNCTIONAL MOENOMYCINMEMBRANE CELL SHAPE CELL WALL BIOGENESIS/DEGRADATION GLYCOSYLTRANSFERASE MEMBRANE PEPTIDOGLYCAN SYNTHESIS TRATRANSMEMBRANE
Ref.: CHARACTERIZATION OF THE ACTIVE SITE OF S. AUREUS MONOFUNCTIONAL GLYCOSYLTRANSFERASE (MTG) BY SITE-DI MUTATION AND STRUCTURAL ANALYSIS OF THE PROTEIN COM WITH MOENOMYCIN J.STRUCT.BIOL. V. 167 129 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HZS - M0E C69 H106 N5 O34 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 3 families.
1 3HZS - M0E C69 H106 N5 O34 P C[C@@H]1[C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3D3H - M4O C49 H80 N5 O32 P C[C@@H]1[C....
2 3HZS - M0E C69 H106 N5 O34 P C[C@@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: M0E; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 M0E 1 1
2 M4O 0.743017 0.945946
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HZS; Ligand: M0E; Similar sites found: 276
This union binding pocket(no: 1) in the query (biounit: 3hzs.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4JCA CIT 0.001141 0.51926 None
2 1UO4 PIH 0.002164 0.50364 None
3 1UO5 PIH 0.01279 0.45299 None
4 3UEC ALA ARG TPO LYS 0.01156 0.44151 None
5 1SC3 MLI 0.04063 0.4192 None
6 1LNX URI 0.01686 0.418 None
7 3SCH TB6 0.03621 0.41151 None
8 4AP9 1PS 0.004523 0.41044 None
9 4P9Z NMI PTR 02K ASN NH2 0.02491 0.41024 None
10 1KTG AMP 0.03166 0.40709 None
11 1EDO NAP 0.0005377 0.40569 None
12 1R6W 164 0.01271 0.40358 None
13 1JH7 UVC 0.04879 0.40078 None
14 1Z6K OAA 0.0006066 0.46864 0.956938
15 1YHM AHD 0.02139 0.41781 0.956938
16 1E5F PLP 0.008844 0.40982 0.956938
17 1KYQ NAD 0.006087 0.40905 0.956938
18 3GX0 GDS 0.007929 0.40149 0.956938
19 1VBO MAN MAN MAN 0.01819 0.42059 1.34228
20 4M7F BM3 0.007013 0.43537 1.43541
21 2Z9V PXM 0.007163 0.43496 1.43541
22 4PB2 5UD 0.002869 0.42132 1.43541
23 1GSA ADP 0.0001934 0.40192 1.43541
24 1YOA FMN 0.02009 0.45731 1.88679
25 1A5Z OXM 0.0007388 0.50988 1.91388
26 1A5Z FBP 0.001265 0.43071 1.91388
27 3QV9 QV7 0.01504 0.42504 1.91388
28 1ML4 PAL 0.001779 0.42344 1.91388
29 2YDW WSH 0.01735 0.40903 1.96078
30 1O68 KIV 0.00652 0.43682 2.18182
31 2OWZ CIT 0.004196 0.45707 2.39234
32 2BO4 FLC 0.007237 0.45172 2.39234
33 1DXY COI 0.01334 0.45147 2.39234
34 2Y7P SAL 0.005082 0.44173 2.39234
35 3RHZ UDP 0.00114 0.43636 2.39234
36 1LDM OXM 0.006004 0.42884 2.39234
37 4M51 BEZ 0.03282 0.42411 2.39234
38 1P9B HDA 0.02099 0.4182 2.39234
39 2ZYF AKG 0.0272 0.40441 2.39234
40 1F3L SAH 0.004914 0.40271 2.39234
41 2F3R G5P 0.000008728 0.41041 2.41546
42 3E81 SLB 0.02379 0.41563 2.43902
43 3KMT SAH 0.01485 0.40437 2.52101
44 3EJ0 11X 0.003071 0.45449 2.55102
45 3SJ0 DXC 0.04666 0.41082 2.8169
46 1RYI GOA 0.01716 0.46721 2.87081
47 3IB9 BTN 0.00462 0.46495 2.87081
48 1I0Z OXM 0.02259 0.43903 2.87081
49 1V5F FAD 0.0004309 0.43795 2.87081
50 1V5F TPP 0.0004309 0.43795 2.87081
51 1X8X TYR 0.006744 0.42667 2.87081
52 1FBL HTA 0.007102 0.42571 2.87081
53 3QO8 SSA 0.004935 0.41984 2.87081
54 3WAS BGC BMA 0.0002 0.41926 2.87081
55 2CE7 ADP 0.008055 0.41518 2.87081
56 3W54 RNB 0.009575 0.41213 2.87081
57 3RK0 AMP 0.01394 0.4092 2.87081
58 3PMA SCR 0.0362 0.40277 2.87081
59 1XE7 GUN 0.03032 0.43205 2.95567
60 1DUC DUD 0.0001693 0.46038 2.98507
61 1KYV RBF 0.0109 0.40278 3.14465
62 1ZJ6 G3D 0.0208 0.4019 3.20856
63 3LEO GSH 0.0008516 0.40959 3.22581
64 1SS4 GSH 0.0007998 0.54521 3.26797
65 1SS4 CIT 0.04292 0.44681 3.26797
66 2FGQ MLT 0.00006928 0.54321 3.34928
67 5DRN 5CT 0.009065 0.46447 3.34928
68 3KYF 5GP 5GP 0.00393 0.43673 3.34928
69 2ZO9 MLI 0.006243 0.42591 3.34928
70 2TOH HBI 0.0008191 0.4228 3.34928
71 4IU0 ABH 0.001739 0.41848 3.34928
72 3LTW HLZ 0.02615 0.41845 3.34928
73 3K3G MMU 0.02038 0.41648 3.34928
74 3CH5 GDP 0.01124 0.4131 3.34928
75 1P72 THM 0.0235 0.4114 3.34928
76 4OJ8 2TQ 0.003176 0.40934 3.34928
77 3NFZ 3NF 0.01446 0.40853 3.34928
78 3MCT 3MC 0.02727 0.40844 3.34928
79 2NCD ADP 0.03653 0.40679 3.34928
80 3VOZ 04A 0.009855 0.40448 3.34928
81 1TFZ 869 0.006578 0.40447 3.34928
82 1NML CIT 0.03594 0.40292 3.34928
83 4F8L GAL 0.01318 0.46815 3.44828
84 2OFE NAG 0.03016 0.41541 3.52113
85 2OFD NGA 0.03718 0.41094 3.52113
86 1ECM TSA 0.003119 0.44602 3.66972
87 4AF5 CIT 0.0404 0.40917 3.68421
88 2O66 FLC 0.01808 0.42127 3.7037
89 1NXJ GLV 0.006641 0.43155 3.82514
90 1NXJ TLA 0.003029 0.4262 3.82514
91 1T0S BML 0.001684 0.49132 3.82775
92 2P41 G1G 0.003177 0.44567 3.82775
93 1H16 PYR 0.01444 0.4428 3.82775
94 1B5E DCM 0.008497 0.42682 3.82775
95 1WRA PC 0.02861 0.42164 3.82775
96 1EP2 FMN 0.0007135 0.41499 3.82775
97 2NVK NAP 0.02479 0.41034 3.82775
98 3OIG NAD 0.000215 0.41001 3.82775
99 5AYC BGC BMA 0.002382 0.40888 3.82775
100 1LYX PGA 0.01231 0.40769 3.82775
101 1TV5 A26 0.003622 0.40735 3.82775
102 3LM9 ADP 0.01631 0.40634 3.82775
103 1TV5 ORO 0.01017 0.40566 3.82775
104 3GTD MLI 0.04284 0.40348 3.82775
105 3PMD 11A 0.01093 0.41767 3.92157
106 3L6R MLI 0.005744 0.45676 4.04624
107 3B9Z CO2 0.0004523 0.50385 4.30622
108 2XDQ MGX 0.002547 0.49033 4.30622
109 2Q3M MLA 0.008763 0.46135 4.30622
110 2YIV NBN 0.008516 0.44818 4.30622
111 3PXP MYR 0.002042 0.43082 4.30622
112 4JWX 1N4 0.01284 0.42342 4.30622
113 3CEV ARG 0.01088 0.42208 4.30622
114 1RZM PEP 0.01443 0.42109 4.30622
115 4MOB ADP 0.004276 0.42036 4.30622
116 1RZM E4P 0.0306 0.42016 4.30622
117 1T10 F6P 0.02316 0.41618 4.30622
118 4USS GSH 0.02095 0.41369 4.30622
119 1U5R ATP 0.00823 0.41106 4.30622
120 4AF0 MOA 0.002109 0.40909 4.30622
121 4I9A NCN 0.001295 0.40402 4.30622
122 3FKQ ATP 0.01081 0.40293 4.30622
123 1EYQ NAR 0.03266 0.40086 4.30622
124 1F7K UMP 0.001089 0.42035 4.41176
125 2W58 ADP 0.02873 0.41302 4.45545
126 2DTJ THR 0.006925 0.42618 4.49438
127 3SIX GDP 0.01628 0.40637 4.54545
128 1Q3P GLU ALA GLN THR ARG LEU 0.01515 0.40055 4.58716
129 1BTN I3P 0.008543 0.4766 4.71698
130 4RJK PYR 0.0099 0.45135 4.78469
131 1QH9 LAC 0.009496 0.43988 4.78469
132 4W6Z ETF 0.04191 0.42434 4.78469
133 2Y6P CTP 0.008051 0.42337 4.78469
134 2YP9 SIA CMO 0.003946 0.42172 4.78469
135 4OE4 NAD 0.0003484 0.41679 4.78469
136 1Q11 TYE 0.02131 0.41335 4.78469
137 2QS8 MET 0.001673 0.40633 4.78469
138 4P87 4NP 0.001739 0.40578 4.78469
139 4L7I SAM 0.009444 0.40519 4.78469
140 3BHO B4P 0.04417 0.42956 4.80769
141 1Y1A GSH 0.04851 0.43667 4.91803
142 3GM5 CIT 0.002286 0.46983 5.03145
143 4LO6 SIA GAL 0.0004704 0.51549 5.26316
144 9LDB OXM 0.0159 0.45483 5.26316
145 1JAC AMG 0.02432 0.44437 5.26316
146 1KTC NGA 0.01294 0.42326 5.26316
147 2YCD GTB 0.01865 0.4039 5.26316
148 3B9Q MLI 0.04687 0.40162 5.26316
149 1Q3Q ANP 0.0003755 0.40034 5.26316
150 3NGU ADP 0.007058 0.41751 5.29801
151 4G28 0W8 0.01384 0.41744 5.36913
152 4FGC PQ0 0.0109 0.43162 5.45455
153 1H8P PC 0.01905 0.44306 5.50459
154 2BZ1 TAU 0.0168 0.46192 5.61225
155 2Q8H TF4 0.01151 0.45493 5.74163
156 2EB5 OXL 0.02633 0.4183 5.74163
157 3MD0 GDP 0.03287 0.40074 5.74163
158 3PNA CMP 0.01498 0.41592 5.84416
159 1RL4 BL5 0.0284 0.40806 5.85106
160 1PKK DCP 0.002121 0.41547 5.88235
161 3S9K CIT 0.04039 0.4561 5.9322
162 2XI7 XI7 0.01026 0.4746 5.97826
163 1TH8 ADP 0.00948 0.42033 6.2069
164 1HFA PIO 0.00609 0.46465 6.2201
165 4M5P MLA 0.01914 0.45027 6.2201
166 3DG6 MUC 0.003687 0.42895 6.2201
167 4G86 BNT 0.01585 0.42341 6.2201
168 3JQ3 ADP 0.008868 0.42157 6.2201
169 4M5P 23W 0.04198 0.41846 6.2201
170 3T1A 5MA 0.004764 0.41305 6.2201
171 3P7I P7I 0.02261 0.41218 6.2201
172 2J5S KTA 0.005439 0.41089 6.2201
173 3GJB AKG 0.029 0.40316 6.2201
174 4A8H PUW 0.001188 0.40099 6.2201
175 3BY8 MLT 0.009953 0.44478 6.33803
176 4C81 CDP 0.005797 0.40486 6.52174
177 2Q37 3AL 0.01345 0.42732 6.62983
178 2BS5 BGC GAL FUC 0.002435 0.404 6.66667
179 2DWU DGL 0.002564 0.44977 6.69856
180 3SQG COM 0.03238 0.43728 6.69856
181 1ZED PNP 0.0177 0.43219 6.69856
182 4OYA 1VE 0.0005538 0.41976 6.69856
183 1AX2 NDG GAL 0.01712 0.4177 6.69856
184 2OHV NHL 0.0151 0.41578 6.69856
185 3MMR ABH 0.002572 0.40323 6.69856
186 2VHJ ADP 0.007161 0.40312 6.69856
187 2HFK E4H 0.04153 0.40001 6.69856
188 3VCA PRO 0.0007693 0.48219 7.17703
189 3ZGE ASP 0.02455 0.43074 7.17703
190 4QDC ASD 0.001046 0.41131 7.17703
191 1MOQ GLP 0.006043 0.40917 7.17703
192 2ZJ5 ADP 0.04346 0.40318 7.17703
193 2C9O ADP 0.0007637 0.40253 7.17703
194 2V5E SCR 0.00997 0.46629 7.5
195 1WGC SIA GAL BGC 0.03468 0.43558 7.60234
196 1I2B UPG 0.001071 0.41976 7.6555
197 1I2B NAD 0.001071 0.41976 7.6555
198 1I2B USQ 0.001071 0.41976 7.6555
199 1QO0 BMD 0.02725 0.41757 7.6555
200 1PEA ACM 0.04848 0.41514 7.6555
201 1SQ5 PAU 0.02397 0.41101 7.6555
202 4CML 52N 0.001283 0.4085 7.6555
203 2WMO GTP 0.01257 0.40732 7.6555
204 4DN8 BMA 0.002686 0.46644 7.69231
205 3RF4 FUN 0.005249 0.4411 7.75862
206 2GN2 C5P 0.001477 0.43622 7.89474
207 1XX4 BAM 0.002184 0.46131 8.13397
208 2JFV FLC 0.007512 0.44481 8.13397
209 1QR0 COA 0.01927 0.40707 8.13397
210 3ANK NG6 GCD 0.02326 0.40353 8.13397
211 4Q3S X7A 0.001896 0.40314 8.13397
212 4GLJ RHB 0.0007917 0.40208 8.13397
213 1A5V Y3 0.008717 0.43618 8.22785
214 1NU4 MLA 0.002258 0.4522 8.24742
215 1JOT GAL A2G 0.001292 0.45741 8.27068
216 4LKK SIA GAL 0.004742 0.41312 8.33333
217 4Q3F TLA 0.000446 0.50414 8.54701
218 2ZWS PLM 0.001166 0.53018 8.61244
219 1A8S PPI 0.001052 0.45855 8.61244
220 3WUD GLC GAL 0.01056 0.44989 8.82353
221 1NVV GNP 0.001445 0.41141 9.03614
222 3QDT A2G GAL 0.01266 0.44577 9.09091
223 3QDW A2G 0.0263 0.43543 9.09091
224 3QDW NDG 0.01541 0.43522 9.09091
225 3QDY A2G GAL 0.02341 0.43182 9.09091
226 1A59 COA 0.001928 0.4278 9.09091
227 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.04555 0.41657 9.09091
228 4C2G ALA ALA ALA ALA 0.01464 0.41637 9.09091
229 4QDF 30Q 0.001033 0.41148 9.09091
230 4KCT PYR 0.02025 0.41011 9.09091
231 2IZ1 ATR 0.04257 0.40805 9.09091
232 4B7E OGA 0.002214 0.46407 9.56938
233 2Y0I AKG 0.002803 0.45928 9.56938
234 3R51 MMA 0.009954 0.45836 9.56938
235 3A1I UNU 0.004898 0.43263 9.56938
236 2W8Q SIN 0.003503 0.41451 9.56938
237 2XVE FAD 0.0004754 0.40266 9.56938
238 3KJQ B94 0.009548 0.41607 9.7561
239 3NOJ PYR 0.0005784 0.4879 10.0478
240 1AUA BOG 0.01336 0.42262 10.0478
241 3DX5 DHB 0.02369 0.40319 10.0478
242 2X2T GAL NGA 0.03254 0.43037 10.4575
243 2WGC SIA GAL BGC 0.005653 0.48985 10.5263
244 1I1Q TRP 0.03141 0.40162 10.5263
245 2C2A ADP 0.01245 0.40055 10.5263
246 1O9U ADZ 0.0008309 0.51657 11.0048
247 2F2U M77 0.002096 0.44841 11.0048
248 1JSH SIA GAL 0.0004361 0.43946 11.3636
249 2FR6 URI 0.005275 0.41139 11.6438
250 2FR6 CTN 0.006486 0.40801 11.6438
251 4NTX AMR 0.01696 0.42019 11.7647
252 3CI3 5AD 0.0001794 0.43029 11.8557
253 3CI3 3PO 0.0001794 0.43029 11.8557
254 1F1V DHY 0.01591 0.41476 11.9617
255 2YYJ FAD 0.001264 0.40204 11.9617
256 2YYJ 4HP 0.001264 0.40204 11.9617
257 1WKL ATP 0.00233 0.42471 12.4088
258 1WKL ADP 0.009602 0.4016 12.4088
259 1J2Z SOG 0.002292 0.43091 12.4402
260 1KC7 PPR 0.003092 0.47023 12.9187
261 3I51 45C 0.02023 0.40241 12.9187
262 1OGD RIP 0.01106 0.42637 12.9771
263 1T3D CYS 0.04013 0.41417 13.3971
264 1Y75 NAG 0.004893 0.4374 14.4068
265 2HVK TBA 0.003223 0.46262 14.5161
266 4LIT AKG 0.03805 0.40595 14.8325
267 1SJW NGV 0.01332 0.40277 15.9722
268 3PLN U5P 0.03737 0.40213 16.7464
269 2D4N DUP 0.0004649 0.43282 17.7632
270 3KPE TM3 0.003166 0.46299 17.9487
271 2JBH 5GP 0.01303 0.4186 20.0957
272 4HA6 PXM 0.03792 0.40601 21.0526
273 1H8G CHT 0.006753 0.4853 23.1579
274 1JGS SAL 0.02282 0.43185 23.1884
275 1B74 DGN 0.004596 0.46868 27.2727
276 4BPM GSH 0.00231 0.40475 28.0899
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