Receptor
PDB id Resolution Class Description Source Keywords
2VKL 1.65 Å EC: 5.4.99.5 X-RAY CRYSTAL STRUCTURE OF THE INTRACELLULAR CHORISMATE MUTASE FROM MYCOBACTRERIUM TUBERCULOSIS IN COMPLEX WITH M ALATE MYCOBACTERIUM TUBERCULOSIS HELICAL TUBERCULOSIS INTRACELLULAR CHORISMATE MUTASE ISOMERASE
Ref.: STRUCTURE AND FUNCTION OF A COMPLEX BETWEEN CHORISMATE MUTASE AND DAHP SYNTHASE: EFFICIENCY BOOST FOR THE JUNIOR PARTNER. EMBO J. V. 28 2128 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLT A:1090;
Valid;
none;
submit data
134.087 C4 H6 O5 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VKL 1.65 Å EC: 5.4.99.5 X-RAY CRYSTAL STRUCTURE OF THE INTRACELLULAR CHORISMATE MUTASE FROM MYCOBACTRERIUM TUBERCULOSIS IN COMPLEX WITH M ALATE MYCOBACTERIUM TUBERCULOSIS HELICAL TUBERCULOSIS INTRACELLULAR CHORISMATE MUTASE ISOMERASE
Ref.: STRUCTURE AND FUNCTION OF A COMPLEX BETWEEN CHORISMATE MUTASE AND DAHP SYNTHASE: EFFICIENCY BOOST FOR THE JUNIOR 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 7 families.
1 2VKL - MLT C4 H6 O5 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 7 families.
1 2VKL - MLT C4 H6 O5 C([C@H](C(....
50% 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 2VKL - MLT C4 H6 O5 C([C@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLT; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 DMR 1 1
2 LMR 1 1
3 MLT 1 1
4 DGY 0.52381 0.818182
5 3HG 0.52381 0.761905
6 3HR 0.5 0.666667
7 3HL 0.5 0.666667
8 TRC 0.478261 0.666667
9 2HG 0.461538 0.809524
10 S2G 0.461538 0.809524
11 2RH 0.458333 0.652174
12 ICT 0.444444 0.904762
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VKL; Ligand: MLT; Similar sites found: 350
This union binding pocket(no: 1) in the query (biounit: 2vkl.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TCT 3MI 0.001282 0.52588 None
2 4NAT ADP 0.007088 0.49841 None
3 2D37 FMN 0.001377 0.49676 None
4 2D37 NAD 0.001471 0.49676 None
5 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.003036 0.49435 None
6 3S7O LBV 0.003047 0.48381 None
7 1ZCH FMN 0.001998 0.47955 None
8 4W97 UCA 0.005177 0.46274 None
9 1XLI GLT 0.008816 0.46095 None
10 1MVN PCO 0.02139 0.45792 None
11 1IM8 SAI 0.00543 0.45664 None
12 1LO8 4CA 0.0289 0.45312 None
13 2XVE FAD 0.02917 0.45289 None
14 1NHZ 486 0.007004 0.4525 None
15 3GJB AKG 0.002985 0.4523 None
16 1S2D ADE 0.004221 0.45227 None
17 4JK3 NAD 0.01083 0.45113 None
18 3IIS PID 0.03938 0.44911 None
19 1QCA FUA 0.01323 0.44827 None
20 4B8V NDG NAG NAG NAG 0.01096 0.44816 None
21 3V91 UPG 0.008539 0.44793 None
22 3EW2 BTN 0.003872 0.44662 None
23 2F59 INI 0.007239 0.44639 None
24 3T2W BTN 0.004949 0.44389 None
25 4NAT 2W5 0.02247 0.4426 None
26 1UWZ THU 0.007588 0.44133 None
27 3ZRR PXG 0.01045 0.43986 None
28 2ALG DAO 0.01155 0.4393 None
29 2ALG HP6 0.01155 0.4393 None
30 3PNA CMP 0.00566 0.43832 None
31 1KHT AMP 0.005893 0.43743 None
32 2PY4 DUP 0.03172 0.43647 None
33 2HMT NAI 0.04193 0.43561 None
34 1OTH PAO 0.02417 0.4356 None
35 3NCQ ATP 0.01369 0.43537 None
36 2HVW DCP 0.009171 0.43494 None
37 1POC GEL 0.01132 0.43433 None
38 3GB5 FMN 0.0135 0.43399 None
39 4O1M NAD 0.02439 0.43307 None
40 1QRD FAD 0.0179 0.43235 None
41 2GJ3 FAD 0.01735 0.43152 None
42 3PAK MAN 0.01232 0.43143 None
43 2D5X L35 0.006261 0.43033 None
44 2XRH NIO 0.004618 0.43 None
45 4KGM ATP 0.01073 0.42919 None
46 2NS1 ADP 0.03448 0.42863 None
47 1P72 ADP 0.03086 0.42859 None
48 5RHN 8BR 0.01436 0.42697 None
49 1VR0 3SL 0.009712 0.42649 None
50 4B7E OGA 0.00763 0.42607 None
51 1MVN FMN 0.0463 0.42577 None
52 3BLI ACO 0.02363 0.42435 None
53 3ZZS TRP 0.04825 0.42193 None
54 2E2R 2OH 0.04787 0.42113 None
55 2F7C CCU 0.009621 0.42108 None
56 4A6F SEP 0.004011 0.41976 None
57 4IS0 1R4 0.02992 0.41885 None
58 3TXO 07U 0.01892 0.4187 None
59 1IYE PGU 0.04781 0.418 None
60 1MQ0 BRD 0.02038 0.41703 None
61 2YCJ C2F 0.02187 0.41544 None
62 1R6W 164 0.02565 0.41383 None
63 1MK1 APR 0.03713 0.4138 None
64 3QQA TCH 0.03788 0.41333 None
65 1L1Q 9DA 0.03446 0.41241 None
66 3ZLM ANP 0.03233 0.4122 None
67 3OZG SSI 0.02759 0.41218 None
68 1NXJ TLA 0.03143 0.41016 None
69 2V5E SCR 0.006585 0.4097 None
70 3QDW NDG 0.01339 0.40751 None
71 1B66 BIO 0.04977 0.40692 None
72 1UO5 PIH 0.01176 0.40676 None
73 3IO3 ADP 0.04261 0.40583 None
74 3QP6 HL6 0.03441 0.4052 None
75 1X92 M7P 0.03193 0.40483 None
76 3MCT 3MC 0.02437 0.40371 None
77 3BL6 FMC 0.04829 0.40292 None
78 1P72 THM 0.02682 0.40162 None
79 5YAS FAC 0.03355 0.40152 None
80 1Y13 BIO 0.03402 0.40121 None
81 1KC7 PPR 0.01824 0.40096 None
82 2WCV FUC 0.03511 0.4005 None
83 3AHC TPP 0.004159 0.47511 2.22222
84 4NE2 SH2 0.009483 0.46145 2.22222
85 3VHZ SOG 0.04901 0.43951 2.22222
86 3F3E LEU 0.03161 0.43425 2.22222
87 3V1V GST 0.02147 0.41978 2.22222
88 1WVG CXY 0.04281 0.41046 2.22222
89 3RKR NAP 0.03513 0.40049 2.22222
90 2V6O FAD 0.005129 0.50344 3.33333
91 3LPF Z77 0.008343 0.45457 3.33333
92 1GS5 NLG 0.01153 0.45452 3.33333
93 1GS5 ANP 0.01153 0.45452 3.33333
94 4CS4 ANP 0.01531 0.45195 3.33333
95 4CS4 AXZ 0.0225 0.44801 3.33333
96 2B4Q NAP 0.01356 0.44708 3.33333
97 4NES UD1 0.007331 0.44611 3.33333
98 2P41 SAH 0.009039 0.44134 3.33333
99 1SBZ FMN 0.02093 0.43907 3.33333
100 1JUV NDP 0.01618 0.439 3.33333
101 1Z4V DAN 0.02952 0.43187 3.33333
102 4NES UDP 0.01294 0.43128 3.33333
103 2R14 FMN 0.02279 0.43092 3.33333
104 3CQ5 PMP 0.008239 0.4301 3.33333
105 3UR0 SVR 0.04815 0.42984 3.33333
106 3PY5 AMP 0.01291 0.42936 3.33333
107 3W54 RNB 0.01486 0.42412 3.33333
108 2YC5 6BC 0.04808 0.42201 3.33333
109 2WQP WQP 0.03558 0.42035 3.33333
110 1UMP SQA 0.04544 0.41322 3.33333
111 5T0A A3P 0.02232 0.41174 3.33333
112 1FMB HYB 0.02451 0.41076 3.33333
113 2FFC U5P 0.04262 0.40582 3.33333
114 3P0F BAU 0.03662 0.40573 3.33333
115 3O03 GCO 0.03546 0.40452 3.33333
116 4G1V FAD 0.0005202 0.52116 4.44444
117 4P3H 25G 0.004346 0.48945 4.44444
118 3S9K CIT 0.0006218 0.47801 4.44444
119 4QDC ASD 0.003996 0.47257 4.44444
120 4PLG NAI 0.01275 0.45639 4.44444
121 4PLG OXM 0.01275 0.45639 4.44444
122 3WBF API 0.01759 0.44437 4.44444
123 1U7Z PMT 0.0179 0.44394 4.44444
124 2XK9 XK9 0.01918 0.44337 4.44444
125 3WBF NAP 0.01738 0.43992 4.44444
126 4CKU P2F 0.04095 0.43621 4.44444
127 5EQU 5R6 0.01607 0.42442 4.44444
128 4BAS GNP 0.02289 0.42351 4.44444
129 2J5S KTA 0.01979 0.42346 4.44444
130 2YFT DQR 0.01967 0.41986 4.44444
131 1QS8 IVA VAL VAL STA ALA STA 0.02397 0.41908 4.44444
132 4M7F BM3 0.03572 0.40436 4.44444
133 3KYF 5GP 5GP 0.03322 0.40174 4.44444
134 3KMZ EQO 0.001474 0.49517 5.55556
135 1P9B IMO 0.006518 0.45738 5.55556
136 3IOI 1GW 0.0103 0.45606 5.55556
137 1NOW IFG 0.002859 0.45032 5.55556
138 1AUX AGS 0.00578 0.44953 5.55556
139 1QPB TPP 0.01708 0.43773 5.55556
140 3EJ0 11X 0.01827 0.43476 5.55556
141 1V2X SAM 0.01851 0.42675 5.55556
142 3CL5 SIO 0.006076 0.42422 5.55556
143 3ZEI AWH 0.04355 0.41798 5.55556
144 1I7Z COC 0.02153 0.4158 5.55556
145 2BO4 FLC 0.009329 0.41516 5.55556
146 2PTZ PAH 0.02566 0.41383 5.55556
147 4I71 AGV 0.04377 0.4052 5.55556
148 1KYV RBF 0.04484 0.40292 5.55556
149 1OGD RIP 0.02834 0.4004 5.55556
150 2OWZ CIT 0.000126 0.51018 6.66667
151 1H9G COA MYR 0.004717 0.46794 6.66667
152 1DLJ NAI 0.01939 0.45649 6.66667
153 1KGQ NPI 0.03961 0.45078 6.66667
154 1KGQ SCO 0.04076 0.45078 6.66667
155 3WE0 FAD 0.02147 0.44917 6.66667
156 3UXL CFI 0.02347 0.44524 6.66667
157 3QP4 HL0 0.007321 0.44213 6.66667
158 2Q8M AMP 0.006075 0.44183 6.66667
159 2C4I BTN 0.008529 0.4387 6.66667
160 1OGZ EQU 0.007589 0.43689 6.66667
161 1PX8 XYP 0.006063 0.43102 6.66667
162 2Q2V NAD 0.03111 0.43059 6.66667
163 1H16 COA 0.01613 0.42991 6.66667
164 1TB4 PEJ 0.04449 0.41863 6.66667
165 2CSN CKI 0.04173 0.41526 6.66667
166 1BGQ RDC 0.04735 0.41352 6.66667
167 2QJN KDG 0.02424 0.41312 6.66667
168 2OWZ F6P 0.03012 0.41205 6.66667
169 2YKX AKG 0.01456 0.40575 6.66667
170 3ZGE ASP 0.01376 0.40328 6.66667
171 4HVK PMP 0.0298 0.40181 6.66667
172 1H16 DTL 0.01224 0.40166 6.66667
173 1Y7P RIP 0.009556 0.41091 6.72646
174 1XVV CCQ 0.002112 0.50213 7.77778
175 1EZV SMA 0.003751 0.47331 7.77778
176 1C7R PA5 0.001676 0.46773 7.77778
177 1L3I SAH 0.008404 0.4544 7.77778
178 1EZV UQ6 0.008947 0.44685 7.77778
179 2J07 FAD 0.02806 0.44647 7.77778
180 2J07 HDF 0.02806 0.44647 7.77778
181 1H9A NAP 0.01818 0.44466 7.77778
182 2RGH FAD 0.02346 0.44436 7.77778
183 3ZOD FMN 0.01512 0.44059 7.77778
184 3ZOD HQE 0.01512 0.44059 7.77778
185 1M7Y PPG 0.01822 0.44004 7.77778
186 4LWA Q13 0.03346 0.4347 7.77778
187 3Q9T FAY 0.03228 0.43467 7.77778
188 1UKW FAD 0.03643 0.43076 7.77778
189 3V1U HXC 0.009685 0.42909 7.77778
190 4C0X FMN 0.0267 0.42717 7.77778
191 3B96 MYA 0.01867 0.42655 7.77778
192 1B55 4IP 0.01556 0.4231 7.77778
193 2ZI8 SDT 0.04019 0.41991 7.77778
194 1VJT NAD 0.025 0.41983 7.77778
195 3WJP ANP 0.0266 0.41669 7.77778
196 1WTC ACP 0.02577 0.41174 7.77778
197 1UAY ADN 0.0321 0.40678 7.77778
198 2YD6 FLC 0.0003809 0.40379 7.77778
199 3FPZ AHZ 0.02892 0.46077 8.88889
200 2XBN PMP 0.014 0.44102 8.88889
201 4KXV TDP DX5 0.02687 0.43918 8.88889
202 4GYW UDP 0.02517 0.43572 8.88889
203 1RKD ADP 0.03071 0.42982 8.88889
204 1RKD RIB 0.03071 0.42982 8.88889
205 3QO8 SSA 0.01534 0.42548 8.88889
206 4P87 4NP 0.03187 0.42296 8.88889
207 3B1F NAD 0.02557 0.42251 8.88889
208 4IVG ANP 0.03177 0.41893 8.88889
209 1A27 NAP 0.04638 0.41762 8.88889
210 4AMV F6R 0.02346 0.41586 8.88889
211 1FP2 HMO 0.02397 0.41537 8.88889
212 1JIL 485 0.03088 0.41495 8.88889
213 2ZSC BTN 0.02321 0.4141 8.88889
214 1AUA BOG 0.01713 0.41142 8.88889
215 1R37 ETX 0.01691 0.40587 8.88889
216 4QVH FLC 0.002291 0.40457 8.88889
217 2JC9 ADN 0.02452 0.40358 8.88889
218 4LXH C1E 0.04579 0.40243 8.88889
219 4GO7 THR 0.03408 0.40117 9.5
220 1GV0 NAD 0.009033 0.45672 10
221 3C2O NTM 0.04352 0.45453 10
222 3S2Y FMN 0.005546 0.44838 10
223 2P1M IHP 0.01519 0.4391 10
224 3O7B SAH 0.01229 0.43434 10
225 1ZUW DGL 0.008183 0.43025 10
226 2CFU 1DB 0.0187 0.42819 10
227 2TPL HPP 0.02809 0.42463 10
228 3RO7 TDR 0.03303 0.42338 10
229 4CML 52N 0.03852 0.41909 10
230 3VPD ANP 0.03499 0.41366 10
231 3VPD CIT 0.006137 0.41113 10
232 1ITZ TPP 0.001884 0.48452 11.1111
233 1PL6 572 0.00701 0.46644 11.1111
234 4HA6 FAD 0.01247 0.4626 11.1111
235 2NX1 PEP 0.01996 0.43536 11.1111
236 4FDV 0UK 0.02526 0.43454 11.1111
237 2NX1 RP5 0.02144 0.43367 11.1111
238 3DAG FEG 0.02086 0.43165 11.1111
239 1DR1 NAP 0.03966 0.42867 11.1111
240 1DR1 HBI 0.03966 0.42867 11.1111
241 1WNG SAH 0.01804 0.42734 11.1111
242 3UIE ANP 0.01272 0.42307 11.1111
243 1JQI CAA 0.02943 0.42215 11.1111
244 2Q8H TF4 0.001842 0.41609 11.1111
245 4FGC PQ0 0.01223 0.41589 11.1111
246 3TKA CTN 0.008484 0.41532 11.1111
247 3HF3 FMN 0.03545 0.41488 11.1111
248 3ZUY TCH 0.0185 0.41477 11.1111
249 5H94 LYS MET ASN THR GLN PHE THR ALA VAL 0.03634 0.41431 11.1111
250 3EM1 TYD 0.04007 0.41418 11.1111
251 3CEV ARG 0.01714 0.41402 11.1111
252 1E2S CSN 0.02386 0.41348 11.1111
253 3GF2 SAL 0.008463 0.41344 11.1111
254 1NOX FMN 0.03324 0.41324 11.1111
255 3FXU TSU 0.04557 0.41183 11.1111
256 1PFK FBP 0.02218 0.41074 11.1111
257 3T1A 5MA 0.03847 0.40819 11.1111
258 3NNF AKG 0.01686 0.40592 11.1111
259 2R42 FPS 0.04938 0.40404 11.1111
260 1VPM COA 0.0109 0.44388 12.2222
261 4WX0 HXD 0.007401 0.44189 12.2222
262 4OJ8 AKG 0.01634 0.42961 12.2222
263 2HXT EHM 0.01419 0.42516 12.2222
264 4OJ8 2TQ 0.03179 0.41743 12.2222
265 2J7T 274 0.04669 0.4163 12.2222
266 1NX4 AKG 0.01424 0.41262 12.2222
267 1YBH P22 0.02418 0.40882 12.2222
268 1VJO PLP 0.03519 0.40664 12.2222
269 2A0W DIH 0.006865 0.46753 13.3333
270 2YBQ UP2 0.009022 0.46374 13.3333
271 1QF5 GDP 0.01776 0.45715 13.3333
272 1QF5 RPL 0.01776 0.45715 13.3333
273 3PXP MYR 0.00445 0.45544 13.3333
274 2WUF KEM 0.01582 0.43521 13.3333
275 3U4C NDP 0.02308 0.43318 13.3333
276 3CQD ATP 0.03726 0.4302 13.3333
277 1II5 GLU 0.006703 0.42886 13.3333
278 2VAR ANP 0.02292 0.42348 13.3333
279 3CKJ CIT 0.04076 0.41711 13.3333
280 4MZ7 DTP 0.001565 0.49823 14.4444
281 1HDR NAD 0.006324 0.48366 14.4444
282 4MZ7 DGT 0.003271 0.48079 14.4444
283 3TO7 COA 0.006096 0.47533 14.4444
284 3MPI FAD 0.007981 0.46561 14.4444
285 4N02 FNR 0.02914 0.44769 14.4444
286 1BDB NAD 0.04796 0.44448 14.4444
287 2WQF FMN 0.00634 0.44088 14.4444
288 1EP2 FAD 0.01402 0.43803 14.4444
289 1MDZ PLP 0.02449 0.43528 14.4444
290 4G28 0W8 0.007491 0.43218 14.4444
291 1T0I FMN 0.01355 0.43212 14.4444
292 1MDZ DCS 0.03143 0.43035 14.4444
293 2J0W ADP 0.01813 0.42363 14.4444
294 1BUC CAA 0.02958 0.42203 14.4444
295 3IL6 B83 0.02666 0.41835 14.4444
296 2J0W ASP 0.01416 0.40633 14.4444
297 3CBG 4FE 0.008871 0.40365 14.4444
298 1R27 MGD 0.0071 0.46952 15.5556
299 3IB8 AMP 0.007343 0.43991 15.5556
300 1NP0 NGT 0.004051 0.43638 15.5556
301 1OLS TDP 0.03917 0.43502 15.5556
302 2PFC PLM 0.01527 0.42133 15.5556
303 1Y7I SAL 0.01544 0.41368 15.5556
304 4BCS BTN 0.02729 0.41243 15.5556
305 1GSA ADP 0.04047 0.41178 15.5556
306 4DL8 UMP AF3 PO4 0.03979 0.40907 15.5556
307 2HGS GSH 0.03825 0.4028 15.5556
308 1FL2 FAD 0.002514 0.49895 16.6667
309 2YB9 HA0 0.003208 0.48125 16.6667
310 1I1Q TRP 0.001004 0.47608 16.6667
311 1RYI GOA 0.01192 0.46372 16.6667
312 3RFV NAI 0.02778 0.42752 16.6667
313 3HQJ COA 0.03035 0.41365 16.6667
314 4M2K PLP 0.02143 0.4091 16.6667
315 3W2W ATP 0.002043 0.46598 17.7778
316 1ML4 PAL 0.006968 0.45003 17.7778
317 4K5S FAD 0.04748 0.42031 17.7778
318 1VQ2 DDN 0.02468 0.4166 17.7778
319 3DDN HPV 0.01872 0.40669 18.8889
320 2YPO PHE 0.006334 0.46514 20
321 4TSK TLA 0.02127 0.42355 20
322 3WO0 ALA 0.01428 0.45263 21.1111
323 3WO0 ADP 0.01428 0.45263 21.1111
324 1RYD NDP 0.0284 0.43687 21.1111
325 1H6C NDP 0.03808 0.42967 21.1111
326 4CKL SM8 0.0194 0.42734 21.1111
327 1TRD PGH 0.01282 0.42524 21.1111
328 6FIV 3TL 0.03611 0.40411 21.1111
329 4KCF AKM 0.00232 0.47971 23.3333
330 4KCF FMN 0.01267 0.42978 23.3333
331 1KBI FMN 0.03111 0.42354 23.3333
332 1KBI PYR 0.03111 0.42354 23.3333
333 2V5K OXM 0.01932 0.41497 23.3333
334 1O7N IND 0.01187 0.44031 24.4444
335 1B9I PXG 0.02888 0.42117 24.4444
336 3FC2 IBI 0.04898 0.4163 24.4444
337 1I36 NAP 0.0008831 0.50202 25.5556
338 5FIT AP2 0.004313 0.44943 25.5556
339 2PMP C5P 0.005246 0.44742 25.5556
340 4PXZ 6AD 0.01933 0.41822 25.5556
341 3BAZ NAP 0.03609 0.4187 26.6667
342 2DVZ GLU 0.02768 0.40582 26.6667
343 1UBY DMA 0.01926 0.42226 27.7778
344 4LIT AKG 0.007225 0.42725 28.8889
345 4LNL PLG 0.006545 0.44248 30
346 4LNL 2BO 0.02404 0.41531 30
347 4LNL 2BK 0.02404 0.41531 30
348 3U7Y FLC 0.02178 0.40281 30
349 3I28 34N 0.009956 0.47073 31.1111
350 1F5F DHT 0.034 0.40928 33.3333
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