Receptor
PDB id Resolution Class Description Source Keywords
2W1A 2.35 Å EC: 2.5.1.54 NON-COVALENT COMPLEX BETWEEN DAHP SYNTHASE AND CHORISMATE MUTASE FROM MYCOBACTERIUM TUBERCULOSIS WITH BOUND TSA MYCOBACTERIUM TUBERCULOSIS TRANSFERASE-ISOMERASE COMPLEX AROMATIC AMINO ACID BIOSYNTHEMULTI-ENZYME COMPLEX PROTEIN-PROTEIN INTERACTIONS SHIKIMAPATHWAY
Ref.: STRUCTURE AND FUNCTION OF A COMPLEX BETWEEN CHORISM MUTASE AND DAHP SYNTHASE: EFFICIENCY BOOST FOR THE PARTNER. EMBO J. V. 28 2128 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CE1 A:1465;
Invalid;
none;
submit data
538.755 C28 H58 O9 CCCCC...
GOL A:1467;
B:1466;
B:1467;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN A:1463;
B:1465;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
PG4 A:1466;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
SO4 A:1464;
B:1463;
B:1464;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
TSA C:1091;
D:1091;
Valid;
Valid;
none;
none;
submit data
228.199 C10 H12 O6 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2W1A 2.35 Å EC: 2.5.1.54 NON-COVALENT COMPLEX BETWEEN DAHP SYNTHASE AND CHORISMATE MUTASE FROM MYCOBACTERIUM TUBERCULOSIS WITH BOUND TSA MYCOBACTERIUM TUBERCULOSIS TRANSFERASE-ISOMERASE COMPLEX AROMATIC AMINO ACID BIOSYNTHEMULTI-ENZYME COMPLEX PROTEIN-PROTEIN INTERACTIONS SHIKIMAPATHWAY
Ref.: STRUCTURE AND FUNCTION OF A COMPLEX BETWEEN CHORISM MUTASE AND DAHP SYNTHASE: EFFICIENCY BOOST FOR THE PARTNER. EMBO J. V. 28 2128 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2W1A - TSA C10 H12 O6 C1[C@@H]2[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2W1A - TSA C10 H12 O6 C1[C@@H]2[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2W1A - TSA C10 H12 O6 C1[C@@H]2[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TSA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TSA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2W1A; Ligand: TSA; Similar sites found: 262
This union binding pocket(no: 1) in the query (biounit: 2w1a.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.00006113 0.55526 None
2 1UO4 PIH 0.0001489 0.52094 None
3 2XRH NIO 0.005974 0.41682 None
4 3TXO 07U 0.000693 0.40728 1.41643
5 4DVE BTN 0.00117 0.41622 1.51515
6 3P7I P7I 0.004531 0.40425 1.55763
7 2Q1A 2KT 0.003736 0.4193 1.70648
8 4HZO COA 0.0009827 0.43068 1.88679
9 1KC7 PPR 0.002361 0.43477 1.90678
10 1IYE PGU 0.008425 0.41175 2.26537
11 2WGC SIA GAL BGC 0.0007879 0.49621 2.33918
12 1WGC SIA GAL BGC 0.001393 0.47178 2.33918
13 1I0Z OXM 0.01678 0.40948 2.4024
14 1SOW OXL 0.0076 0.4262 2.43902
15 1UW1 ADP 0.004455 0.41006 2.5
16 3MAG 3MA 0.0008715 0.4821 2.60586
17 3MCT 3MC 0.001435 0.42414 2.6936
18 9LDT OXM 0.003189 0.45357 2.71084
19 9LDB OXM 0.02604 0.40717 2.71084
20 2HVW DDN 0.0001486 0.43015 2.71739
21 2OFE NAG 0.0007795 0.44842 2.8169
22 2OFD NGA 0.004162 0.41729 2.8169
23 1XE7 GUN 0.02065 0.40509 2.95567
24 1H8G CHT 0.002135 0.47317 3.15789
25 4ARE FLC 0.01065 0.41148 3.17797
26 3BLI PYR 0.003143 0.42924 3.2641
27 1GJW GLC 0.0002314 0.47962 3.33333
28 2Q37 3AL 0.0006006 0.44596 3.33333
29 3O03 GCO 0.003502 0.4425 3.33333
30 3I6B KDO 0.0005261 0.44148 3.33333
31 2OHV NHL 0.002035 0.41251 3.33333
32 2R00 OEG 0.007818 0.41161 3.33333
33 3LST SAH 0.001259 0.40662 3.33333
34 3UEC ALA ARG TPO LYS 0.006344 0.41566 3.42466
35 1Y9Q MED 0.005236 0.41301 3.64583
36 2X2T GAL NGA 0.004403 0.43769 3.92157
37 4EXO PYR 0.003954 0.432 4.10959
38 4B16 NAG 0.005524 0.44147 4.13534
39 1GVF PGH 0.0002684 0.45311 4.1958
40 3KMT SAH 0.0006802 0.40937 4.20168
41 1Y2W NAG 0.002426 0.42733 4.22535
42 4BI7 PGA 0.002742 0.40752 4.28016
43 3RF4 FUN 0.0004498 0.44419 4.31034
44 1YFZ IMP 0.0007037 0.44312 4.39024
45 4B9E FAH 0.0005055 0.46454 4.44444
46 1QH9 LAC 0.00307 0.42295 4.44444
47 1C3V PDC 0.003627 0.41375 4.44444
48 3B9Z CO2 0.01552 0.40965 4.44444
49 3S9K CIT 0.03192 0.4042 4.44444
50 2DWU DGL 0.00356 0.40316 4.44444
51 1ZGA HMK 0.001752 0.4014 4.44444
52 1JAC AMG 0.009686 0.42909 4.51128
53 3RKR NAP 0.0007302 0.42384 4.58015
54 1AX2 NDG GAL 0.003967 0.40655 4.60251
55 4ME6 ADP 0.0002938 0.45875 4.66321
56 3BY8 MLT 0.01156 0.40403 4.92958
57 1EYE PMM 0.0007349 0.41517 5
58 1YOA FMN 0.001362 0.48356 5.03145
59 4AF5 CIT 0.0008858 0.44605 5.26316
60 2BOI MFU 0.001604 0.42221 5.30973
61 1ULE GLA GAL NAG 0.006234 0.42282 5.33333
62 1DXY COI 0.001986 0.45442 5.40541
63 3ZLM ANP 0.004229 0.40669 5.50847
64 2BZ1 TAU 0.0003905 0.51243 5.55556
65 1Z42 HBA 0.0009621 0.49715 5.55556
66 2FP2 TSA 0.000008858 0.4841 5.55556
67 1Z44 NPO 0.002963 0.46559 5.55556
68 2BO4 FLC 0.001398 0.44489 5.55556
69 4WBD ADP 0.002459 0.43399 5.55556
70 1P9B HDA 0.001978 0.42461 5.55556
71 4WBD CIT 0.006642 0.42155 5.55556
72 3CL5 SIO 0.005091 0.41992 5.55556
73 2PTZ PAH 0.003294 0.4067 5.55556
74 3A8U PLP 0.005863 0.40513 5.55556
75 1X54 4AD 0.008013 0.40439 5.55556
76 3EJ0 11X 0.005484 0.40359 5.61225
77 4K30 NLG 0.004425 0.40466 5.625
78 1A5V Y3 0.003076 0.4167 5.6962
79 3UBW 6SP 0.001065 0.49191 5.74713
80 3E4O SIN 0.006298 0.40385 5.90164
81 1B74 DGN 0.01088 0.41159 5.90551
82 1QDS PGA 0.002512 0.40387 5.9761
83 1Y1A GSH 0.0009565 0.49207 6.01093
84 1TUV VK3 0.009627 0.42122 6.14035
85 2GBB CIT 0.000002002 0.58268 6.41026
86 2WCV FUC 0.0006595 0.43133 6.42857
87 1VR0 3SL 0.0008388 0.42731 6.47773
88 3ZGE ASP 0.002319 0.44274 6.66667
89 3EE4 MYR 0.000005832 0.43122 6.66667
90 2OWZ CIT 0.002076 0.43022 6.66667
91 1H16 PYR 0.004399 0.42985 6.66667
92 1UOU CMU 0.000276 0.42115 6.66667
93 3I51 45C 0.000736 0.41602 6.66667
94 2PW0 TRC 0.00954 0.41488 6.66667
95 2Q8M AMP 0.0008888 0.41301 6.66667
96 4CCO OGA 0.003378 0.40934 6.66667
97 1U5V ATP 0.04465 0.40403 6.66667
98 1Z45 GAL 0.004695 0.40363 6.66667
99 1F1V DHY 0.003774 0.40218 6.66667
100 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01838 0.40097 6.66667
101 2F2U M77 0.003124 0.40035 6.66667
102 2VWT PYR 0.005164 0.41964 6.74157
103 1JN2 SFP 0.002447 0.47766 6.75105
104 3GTD MLI 0.001683 0.4275 6.77966
105 4Q3F TLA 0.003076 0.4056 6.83761
106 3G2Y GF4 0.03788 0.40945 6.84411
107 3L24 GOA 0.009094 0.42242 6.99153
108 1CBF SAH 0.0005722 0.40636 7.01754
109 1JGS SAL 0.0009441 0.49203 7.24638
110 2B7N NTM 0.005338 0.40682 7.32601
111 3R51 MMA 0.01508 0.41174 7.5
112 1TDF NAP 0.02052 0.4239 7.59494
113 2F7C CCU 0.0007987 0.44086 7.62712
114 2YD6 FLC 0.0001733 0.5408 7.77778
115 3ZPG 5GP 0.0004637 0.48496 7.77778
116 2VQ5 LDP 0.001501 0.4603 7.77778
117 2QCX PF1 0.001551 0.42897 7.77778
118 1UAY ADN 0.0002542 0.42406 7.77778
119 2Z9V PXM 0.001653 0.4217 7.77778
120 1FBL HTA 0.0008513 0.42136 7.77778
121 2XBP ATP 0.01164 0.42045 7.77778
122 1M1B SPV 0.002719 0.41892 7.77778
123 2Q3M MLA 0.011 0.4184 7.77778
124 1TO9 HMH 0.004341 0.41651 7.77778
125 2VQ5 HBA 0.006591 0.41492 7.77778
126 1WDA BAG 0.002639 0.40817 7.77778
127 1PIG GLC GLC 0.01522 0.40708 7.77778
128 2YLD CMO 0.006417 0.40923 7.87402
129 1SC3 MLI 0.002264 0.44323 7.95455
130 1UWZ THU 0.001906 0.41579 8.08823
131 1SQ5 PAU 0.002642 0.41358 8.11688
132 2EB5 OXL 0.003523 0.42039 8.2397
133 4A6F SEP 0.005 0.44367 8.33333
134 1OGD RIP 0.002161 0.41706 8.39695
135 1B5E DCM 0.004007 0.40118 8.53659
136 1NME 159 0.008843 0.42301 8.69565
137 2ZWS PLM 0.0001913 0.52891 8.88889
138 1T3D CYS 0.0006091 0.46094 8.88889
139 2YIV NBN 0.001035 0.45071 8.88889
140 4JCA CIT 0.004043 0.44835 8.88889
141 2W8Q SIN 0.002857 0.43109 8.88889
142 3QV9 QV7 0.002494 0.42046 8.88889
143 4QVH FLC 0.02247 0.41995 8.88889
144 2O66 FLC 0.002642 0.41943 8.88889
145 2YIV YIV 0.007815 0.41827 8.88889
146 1YHM AHD 0.003902 0.41244 8.88889
147 1R37 ETX 0.005539 0.41197 8.88889
148 3JQ3 ADP 0.002144 0.40644 8.88889
149 4F8L GAL 0.04198 0.4039 8.88889
150 3P0F BAU 0.0005665 0.40737 9.09091
151 1O9U ADZ 0.01177 0.41698 9.14286
152 1Y7P RIP 0.008548 0.40388 9.41704
153 4N7U 2JA 0.0008272 0.47281 9.47368
154 3F8C HT1 0.0009188 0.43835 9.52381
155 3UDG TMP 0.002306 0.45128 9.96678
156 4M5P MLA 0.001786 0.46633 10
157 3HZL 6PC 0.005037 0.43486 10
158 2G36 TRP 0.001178 0.4339 10
159 3ICV NAG 0.01174 0.43307 10
160 3B8I OXL 0.008304 0.43248 10
161 1QO0 BMD 0.002005 0.43087 10
162 2IZ1 ATR 0.002192 0.42921 10
163 1ZUW DGL 0.0008753 0.4266 10
164 2NZU BG6 0.001322 0.42556 10
165 4JLV ADP 0.01434 0.42458 10
166 4CIB 7UZ 0.002665 0.41928 10
167 1K6M AGS 0.00001609 0.41452 10
168 4M5P 23W 0.01008 0.41314 10
169 1PTR PRB 0.01175 0.40371 10
170 3GM5 CIT 0.009985 0.40098 10.0629
171 4LXH C1E 0.0001745 0.41188 10.1083
172 3SBZ MLI 0.01148 0.41751 10.3175
173 2V5E SCR 0.03217 0.40246 10.8911
174 3TKA CTN 0.0005202 0.51387 11.1111
175 2Q8H TF4 0.0001792 0.50491 11.1111
176 1GPJ CIT 0.0004622 0.45813 11.1111
177 4RNV HBA 0.008454 0.45563 11.1111
178 3U1T MLI 0.001359 0.44544 11.1111
179 4FGC PQ0 0.000865 0.43943 11.1111
180 2JFV FLC 0.00165 0.43449 11.1111
181 1G8S MET 0.004194 0.43075 11.1111
182 3DAG FEG 0.002249 0.42813 11.1111
183 3NNF AKG 0.002946 0.42371 11.1111
184 3BRE C2E 0.004099 0.41757 11.1111
185 1OIK AKG 0.004152 0.41733 11.1111
186 3QDV A2G 0.003437 0.44289 11.1888
187 3QDT A2G GAL 0.002721 0.43953 11.1888
188 3QDY A2G GAL 0.003534 0.43426 11.1888
189 3QDX A2G GAL 0.003802 0.43279 11.1888
190 3QDW A2G 0.008824 0.42305 11.1888
191 3QDV NDG 0.00611 0.41639 11.1888
192 3QDX CBS 0.01012 0.40662 11.1888
193 3QDY CBS 0.01033 0.40621 11.1888
194 3QDW NDG 0.01291 0.40188 11.1888
195 3VPD BUA 0.002492 0.47839 11.3879
196 3WUC GLC GAL 0.00917 0.40852 11.6788
197 2IUW AKG 0.0009728 0.42484 12.2222
198 1NX4 AKG 0.002062 0.42387 12.2222
199 2P69 PLP 0.003273 0.41559 12.2222
200 2HFK E4H 0.002505 0.4145 12.2222
201 3DX5 DHB 0.002549 0.40363 12.2222
202 4LHM AZZ 0.004991 0.40802 12.9545
203 3F81 STT 0.002248 0.45182 13.1148
204 2ZE3 AKG 0.0006807 0.44372 13.3333
205 1H0C AOA 0.005162 0.41965 13.3333
206 4PTN PYR 0.01038 0.40816 13.3333
207 1A5Z OXM 0.01527 0.40473 13.3333
208 2IYG FMN 0.0009538 0.40994 13.7097
209 4BT5 23B 0.001168 0.42178 13.7712
210 4CCN OGA 0.001294 0.439 14.2857
211 3LTW HLZ 0.008048 0.40501 14.2857
212 2J0W ASP 0.0001284 0.49099 14.4444
213 3CBG FER 0.002928 0.44627 14.4444
214 1A59 CIT 0.00455 0.42209 14.4444
215 4G28 0W8 0.002028 0.41256 14.4444
216 4COQ SAN 0.005473 0.41219 14.4444
217 1SS4 CIT 0.02054 0.44993 15.0327
218 1HFA PIO 0.0001154 0.52202 15.5556
219 1G0V NAG 0.003578 0.46185 15.5556
220 1Y7I SAL 0.0007866 0.43453 15.5556
221 1VBH PEP 0.002991 0.4172 15.5556
222 4RJK PYR 0.01212 0.40941 15.5556
223 3CEV ARG 0.00193 0.4134 15.7191
224 1RYI GOA 0.0004692 0.51242 16.6667
225 2PR5 FMN 0.00005939 0.41704 16.6667
226 3IB9 BTN 0.01247 0.40562 16.6667
227 2GWD GLU 0.00351 0.40339 16.6667
228 1BTN I3P 0.00005692 0.56869 16.9811
229 4F4S EFO 0.002457 0.41484 17.1053
230 2XI7 XI7 0.00004722 0.56122 17.3913
231 1MZV AMP 0.002765 0.40232 17.4468
232 4O8A 2OP 0.001994 0.45434 17.7778
233 3W2W ATP 0.001261 0.40539 17.7778
234 5YAS FAC 0.001456 0.41269 18.2879
235 1NU4 MLA 0.02012 0.4129 18.5567
236 2E1A MSE 0.001046 0.42362 18.6667
237 3I7S PYR 0.004494 0.42942 18.8889
238 2DTJ THR 0.0005677 0.42791 18.8889
239 2OI2 DP6 0.0005093 0.42022 18.8889
240 1XHL TNE 0.005358 0.41259 18.8889
241 3DDN HPV 0.005647 0.40581 18.8889
242 3IHB TRS 0.001943 0.44564 20
243 3RET PYR 0.0005261 0.44552 20
244 3IHB GLU 0.001816 0.43985 20
245 3WCS MAN NAG 0.0008026 0.43418 20
246 3WCS MAN NAG GAL 0.002037 0.40726 20
247 2XDQ MGX 0.004423 0.43759 21.1111
248 1RYD GLC 0.002063 0.43034 21.1111
249 4E28 9MZ 0.006199 0.40987 21.1111
250 4E28 0MZ 0.006512 0.40325 21.1111
251 2P1M IHP 0.009485 0.40294 21.25
252 4A3X LAT 0.01218 0.41625 21.5859
253 1LYX PGA 0.00009357 0.43879 22.2222
254 2BLE 5GP 0.04139 0.40415 22.2222
255 3SQG COM 0.0008378 0.48297 24.4444
256 2DVZ GLU 0.0013 0.41452 26.6667
257 3SJ0 DXC 0.001169 0.44835 26.7606
258 3BHO B4P 0.01291 0.42273 27.7778
259 4LIT AKG 0.001352 0.43142 28.8889
260 3U7Y FLC 0.02277 0.4251 30
261 1ECM TSA 0.000007441 0.55539 35.5556
262 1T0S BML 0.001418 0.45264 36.6667
Pocket No.: 2; Query (leader) PDB : 2W1A; Ligand: TSA; 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: 2w1a.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback