Receptor
PDB id Resolution Class Description Source Keywords
2CJH 2 Å EC: 2.6.1.36 LYSINE AMINOTRANSFERASE FROM M. TUBERCULOSIS IN THE INTERNAL ALDIMINE FORM WITH BOUND SUBSTRATE 2- K ETOGLUTARATE MYCOBACTERIUM TUBERCULOSIS TRANSFERASE INTERNAL ALDIMINE RV3290C AMINOTRANSFERASE
Ref.: DIRECT EVIDENCE FOR A GLUTAMATE SWITCH NECESSARY FOR SUBSTRATE RECOGNITION: CRYSTAL STRUCTURES OF LYSINE EPSILON-AMINOTRANSFERASE (RV3290C) FROM MYCOBACTERIUM TUBERCULOSIS H37RV. J.MOL.BIOL. V. 362 877 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:1451;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
PLP A:1450;
Invalid;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CJH 2 Å EC: 2.6.1.36 LYSINE AMINOTRANSFERASE FROM M. TUBERCULOSIS IN THE INTERNAL ALDIMINE FORM WITH BOUND SUBSTRATE 2- K ETOGLUTARATE MYCOBACTERIUM TUBERCULOSIS TRANSFERASE INTERNAL ALDIMINE RV3290C AMINOTRANSFERASE
Ref.: DIRECT EVIDENCE FOR A GLUTAMATE SWITCH NECESSARY FOR SUBSTRATE RECOGNITION: CRYSTAL STRUCTURES OF LYSINE EPSILON-AMINOTRANSFERASE (RV3290C) FROM MYCOBACTERIUM TUBERCULOSIS H37RV. J.MOL.BIOL. V. 362 877 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2CJH - AKG C5 H6 O5 C(CC(=O)O)....
2 2CJG - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2CJH - AKG C5 H6 O5 C(CC(=O)O)....
2 2CJG - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2CJH - AKG C5 H6 O5 C(CC(=O)O)....
2 2CJG - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 OOG 0.5 0.947368
3 69O 0.458333 0.714286
4 2IT 0.423077 0.615385
5 SHF 0.416667 0.666667
6 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CJH; Ligand: AKG; Similar sites found: 271
This union binding pocket(no: 1) in the query (biounit: 2cjh.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UW1 ADP 0.0006356 0.45287 None
2 4F4S EFO 0.005728 0.40717 None
3 1UO4 PIH 0.0425 0.40233 None
4 2V5E SCR 0.009758 0.43567 1
5 3U4C NDP 0.004629 0.4071 1.06762
6 2XVE FAD 0.03159 0.40077 1.11359
7 3WO0 ADP 0.0117 0.40008 1.11359
8 3WO0 ALA 0.0117 0.40008 1.11359
9 4JBL MET 0.01732 0.40493 1.17994
10 4KCT PYR 0.00163 0.42373 1.3363
11 2BLE 5GP 0.005183 0.43218 1.3624
12 1XE7 GUN 0.01071 0.42567 1.47783
13 2PT9 2MH 0.005871 0.40947 1.55763
14 2PT9 S4M 0.005233 0.4008 1.55763
15 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.01308 0.40941 1.60256
16 1Q0H NDP 0.01906 0.4016 1.72414
17 1Q0H FOM 0.01739 0.4016 1.72414
18 1E5F PLP 0.006813 0.40373 1.73267
19 4HA6 FAD 0.00118 0.44644 1.78174
20 2NVK NAP 0.008545 0.40006 1.78174
21 3ZF8 GDP 0.001757 0.41714 1.96721
22 4RJK PYR 0.003443 0.44198 2.00445
23 2C7G FAD 0.008178 0.42187 2.00445
24 2C7G ODP 0.01517 0.41011 2.00445
25 3SHR CMP 0.0004892 0.43835 2.00669
26 3B9Z CO2 0.0103 0.40713 2.06186
27 3GE7 AFQ 0.002481 0.42261 2.07254
28 2FNU PMP UD1 0.009713 0.42306 2.13333
29 1C0I BE2 0.005063 0.42312 2.20386
30 1C0I FAD 0.005063 0.42312 2.20386
31 1LCP PLU 0.004775 0.40227 2.22717
32 4B9E FAH 0.0008003 0.46349 2.32558
33 2NLI FMN 0.005049 0.43122 2.44565
34 2NLI LAC 0.02127 0.40672 2.44565
35 1TOI HCI 0.0001636 0.46155 2.44989
36 2TPL HPP 0.002977 0.40985 2.44989
37 1VDC FAD 0.01699 0.40363 2.44989
38 2JC9 ADN 0.007175 0.40317 2.44989
39 4KCF AKM 0.02119 0.40125 2.44989
40 3D3W NAP 0.003079 0.41903 2.45902
41 1M32 PLP 0.01122 0.41545 2.45902
42 1T26 GBD 0.0219 0.42085 2.48447
43 1T26 NAI 0.0219 0.42085 2.48447
44 1QF5 GDP 0.01288 0.4085 2.5522
45 1QF5 RPL 0.01288 0.4085 2.5522
46 2VAR AMP 0.0006764 0.43298 2.55591
47 2VAR KDG 0.001366 0.4162 2.55591
48 2VAR KDF 0.002238 0.40825 2.55591
49 2VAR ANP 0.0002574 0.40335 2.55591
50 2WK9 PLG 0.02135 0.40221 2.57069
51 4W6Z ETF 0.00372 0.4484 2.59366
52 3ZRR PXG 0.002346 0.43055 2.60417
53 3DGB MUC 0.003203 0.40249 2.6178
54 1M5B BN1 0.004249 0.4343 2.6616
55 3GM5 CIT 0.01365 0.40175 2.67261
56 3FRK TQP 0.0025 0.4453 2.68097
57 1WVC CTP 0.02459 0.41504 2.7027
58 9LDT OXM 0.03161 0.40909 2.71084
59 9LDB NAD 0.006698 0.40366 2.71084
60 1QDS PGA 0.001637 0.41831 2.78884
61 4Q4K FMN 0.0155 0.40123 2.80112
62 2Z9V PXM 0.0009312 0.46881 2.80612
63 2EWM NAD 0.002704 0.41861 2.81124
64 1B9I PXG 0.001373 0.4467 2.83505
65 1RYD NDP 0.002053 0.43056 2.84238
66 1O9U ADZ 0.02463 0.40769 2.85714
67 3SQG COM 0.004859 0.45135 2.86738
68 1GJW GLC 0.001012 0.45886 2.89532
69 1E2S CSN 0.001092 0.41487 2.89532
70 2I4O ATP 0.0004394 0.40887 2.89532
71 2YVF FAD 0.02126 0.40737 2.89532
72 2YVF NAD 0.02201 0.40737 2.89532
73 1JA9 PYQ 0.001523 0.42522 2.91971
74 2Q8H TF4 0.0005919 0.48779 2.9484
75 1UF5 CDT 0.003949 0.40369 2.9703
76 2EB5 OXL 0.001044 0.4507 2.99625
77 1I0Z OXM 0.004485 0.44438 3.003
78 3CEV ARG 0.003237 0.41197 3.01003
79 1D3V ABH 0.001489 0.42096 3.09598
80 1PEA ACM 0.006003 0.43054 3.11688
81 3SCH TB6 0.003448 0.42798 3.11804
82 1YBH FAD 0.03538 0.40905 3.11804
83 1LTH NAD 0.01005 0.42027 3.1348
84 1EYQ NAR 0.0009694 0.43264 3.15315
85 1KBJ FMN 0.002471 0.41284 3.15534
86 2Y7P SAL 0.00528 0.40861 3.21101
87 1Q11 TYE 0.003069 0.41824 3.22581
88 1DLJ UGA 0.002305 0.44037 3.23383
89 1DLJ NAI 0.002305 0.44037 3.23383
90 3MAG 3MA 0.02668 0.41294 3.25733
91 2DWU DGL 0.001157 0.42961 3.26087
92 1O68 KIV 0.004894 0.40996 3.27273
93 2XBN PMP 0.002452 0.43844 3.27869
94 3FS8 ACO 0.01426 0.42531 3.2967
95 3FS8 TDR 0.01297 0.42319 3.2967
96 4O8A 2OP 0.001388 0.46953 3.34076
97 3AHC TPP 0.006418 0.40309 3.34076
98 1NZY BCA 0.003014 0.41267 3.34572
99 3MCT SAH 0.003573 0.40022 3.367
100 1GEX PLP HSA 0.0001252 0.46062 3.37079
101 1JN2 SFP 0.03215 0.44132 3.37553
102 1NF8 ISC 0.001568 0.41398 3.38164
103 3ZPG 5GP 0.0006672 0.48523 3.40314
104 3TKA CTN 0.01228 0.45566 3.45821
105 2A0W DIH 0.006854 0.4063 3.46021
106 2HMT NAI 0.02 0.40075 3.47222
107 2OFE NAG 0.01184 0.40447 3.52113
108 3JDW ORN 0.002067 0.40054 3.5461
109 3L24 GOA 0.004422 0.44469 3.56347
110 4OYA 1VE 0.009641 0.43828 3.56347
111 4WBD ADP 0.003261 0.43575 3.56347
112 4WBD CIT 0.01581 0.41056 3.56347
113 4PPU TYR 0.006 0.40635 3.59712
114 1DSS NAD 0.002792 0.41088 3.6036
115 3FXU TSU 0.002421 0.41155 3.60656
116 1V2X SAM 0.003129 0.40043 3.60825
117 4COQ SAN 0.008841 0.41004 3.64372
118 2B7N NTM 0.008537 0.40519 3.663
119 4M5P MLA 0.007266 0.4423 3.6855
120 1Q6O LG6 0.001647 0.40398 3.7037
121 1V7R CIT 0.01443 0.42685 3.76344
122 2IZ1 ATR 0.007316 0.41366 3.78619
123 3F81 STT 0.005243 0.44103 3.82514
124 1Z42 HBA 0.001822 0.48775 3.84615
125 1Z44 NPO 0.008647 0.44759 3.84615
126 1G8S MET 0.01002 0.40765 3.91304
127 3W54 RNB 0.001089 0.41491 3.95137
128 4DQ2 BTX 0.000704 0.43779 3.96341
129 1LYX PGA 0.0009373 0.41725 4.03226
130 3I51 45C 0.0003233 0.43937 4.07407
131 4KQI RBZ 0.007359 0.40211 4.21348
132 4KQI NIO 0.007359 0.40211 4.21348
133 3LZW NAP 0.004243 0.43506 4.21687
134 3LZW FAD 0.001997 0.43215 4.21687
135 3VP6 HLD 0.00044 0.47122 4.23163
136 1XVV CCQ 0.01347 0.40069 4.23163
137 2J8Z NAP 0.002843 0.41505 4.23729
138 2QS8 MET 0.005344 0.40475 4.30622
139 1B74 DGN 0.01582 0.41055 4.33071
140 1J5P NAD 0.005327 0.40342 4.34783
141 1F5F DHT 0.001138 0.40327 4.39024
142 2XDQ MGX 0.002861 0.45403 4.45434
143 2JFV FLC 0.01391 0.40139 4.46735
144 2F2U M77 0.001389 0.42103 4.47761
145 4LNL 2BK 0.00002653 0.46648 4.5045
146 4LNL 2BO 0.003812 0.41493 4.5045
147 4LNL PLG 0.003855 0.40967 4.5045
148 4B16 NAG 0.001139 0.48388 4.51128
149 2OWZ F6P 0.0005887 0.41277 4.51807
150 2OWZ CIT 0.01111 0.40568 4.51807
151 1FBL HTA 0.003913 0.40384 4.59459
152 2VDJ HSE 0.009139 0.42188 4.65116
153 1K1Y MAL 0.02499 0.40726 4.67706
154 3H86 AP5 0.005457 0.4272 4.6875
155 1BTN I3P 0.0004138 0.52429 4.71698
156 4HZO COA 0.005852 0.40679 4.71698
157 1H16 PYR 0.001729 0.45614 4.89978
158 1H16 DTL 0.01127 0.42458 4.89978
159 1WDA BAG 0.002012 0.42012 4.89978
160 1D6H COA 0.01315 0.40478 4.90956
161 3BY8 MLT 0.01631 0.40387 4.92958
162 3ZS7 ATP 0.003418 0.4027 5
163 3PMA SCR 0.004407 0.41182 5.01931
164 2C5S AMP 0.004998 0.40452 5.08475
165 1QO0 BMD 0.001676 0.4417 5.10204
166 3OND NAD 0.00266 0.43612 5.12249
167 3OND ADN 0.00266 0.43612 5.12249
168 4PLG OXM 0.003584 0.42115 5.12249
169 4PLG NAI 0.003584 0.42115 5.12249
170 3ZGE ASP 0.01463 0.41216 5.12249
171 1VJT NAD 0.001474 0.41211 5.12249
172 3U1T MLI 0.01331 0.40791 5.12249
173 1GPJ CIT 0.00254 0.4338 5.19802
174 2ZJF BSU 0.004647 0.40099 5.24862
175 4AF5 CIT 0.0006099 0.46092 5.26316
176 2WGC SIA GAL BGC 0.01425 0.43576 5.26316
177 1WGC SIA GAL BGC 0.0218 0.41753 5.26316
178 4JEJ 1GP 0.001672 0.41294 5.32787
179 1WRA PC 0.004856 0.42788 5.34521
180 3NKS ACJ 0.000753 0.41583 5.34521
181 2HW1 ANP 0.0007577 0.42446 5.36913
182 4F8L GAL 0.002831 0.47392 5.51724
183 4K5S PM0 0.02062 0.40099 5.56793
184 4K5S FAD 0.009103 0.40099 5.56793
185 3RKR NAP 0.0006188 0.40903 5.72519
186 3BHO B4P 0.01417 0.42726 5.76923
187 4IAE 1DX 0.01495 0.40705 5.82011
188 4AZJ SEP PLP 0.01129 0.40142 5.83333
189 3CQ5 PMP 0.0001199 0.46844 5.96206
190 1TDF NAP 0.02204 0.412 6.01266
191 4EXO PYR 0.008385 0.42366 6.16438
192 2BOI MFU 0.003456 0.41613 6.19469
193 3BW2 FMN 0.002068 0.42165 6.23608
194 2YIV YIV 0.00509 0.43394 6.40244
195 1JGS SAL 0.002058 0.48144 6.52174
196 2PWY SAH 0.001209 0.42087 6.68151
197 4K2M O1G 0.0003771 0.47052 6.77201
198 1RYI GOA 0.006643 0.45923 6.80628
199 1LW4 TLP 0.001514 0.4371 6.91643
200 1LW4 PLP 0.00124 0.43655 6.91643
201 1YOA FMN 0.004981 0.46061 6.91824
202 3L6R MLI 0.002172 0.44378 6.93642
203 3NOJ PYR 0.004211 0.41535 7.14286
204 4JCA CIT 0.001277 0.48133 7.18563
205 2CE7 ADP 0.001063 0.41529 7.34967
206 2O66 FLC 0.001508 0.43703 7.40741
207 1H65 GDP 0.0002195 0.40496 7.40741
208 2GJ3 FAD 0.04021 0.40285 7.5
209 1Y1A GSH 0.02678 0.41552 7.65027
210 4DN8 BMA 0.01316 0.40244 7.69231
211 1X1T NAD 0.03757 0.40208 7.69231
212 3RF4 FUN 0.001721 0.4285 7.75862
213 3ICC NAP 0.001242 0.43278 7.84314
214 3RFV 15L 0.005589 0.40122 7.86517
215 2YLD CMO 0.005811 0.41805 7.87402
216 1FIQ FAD 0.00608 0.40888 8
217 1FIQ MTE 0.006336 0.4033 8
218 1Y7P RIP 0.004188 0.42428 8.52018
219 4Q3R XA2 0.000981 0.42764 8.90869
220 2VQ5 HBA 0.00846 0.41689 8.95522
221 2VQ5 LDP 0.03461 0.4003 8.95522
222 1V35 NAI 0.01094 0.40616 9.11854
223 3WGC PLG 0.00248 0.42321 9.38416
224 3QDT A2G GAL 0.007123 0.42702 9.79021
225 3QDY A2G GAL 0.0103 0.41942 9.79021
226 4N02 FNR 0.01633 0.40736 9.80392
227 1DJ9 KAM 0.007704 0.40136 9.89583
228 1YHM AHD 0.003747 0.42033 9.94475
229 3UEC ALA ARG TPO LYS 0.01634 0.40383 10.274
230 1NU4 MLA 0.03439 0.4148 10.3093
231 4C0X AQN 0.005146 0.40801 10.3448
232 4C0X FMN 0.003842 0.40727 10.3448
233 1YAG ATP 0.002171 0.4116 11.2
234 2Q1A 2KT 0.004025 0.42504 11.2628
235 1C1L GAL BGC 0.01298 0.4084 11.6788
236 2ZWS PLM 0.004872 0.46113 12.0267
237 3S9K CIT 0.0004087 0.53518 12.7119
238 3B8X G4M 0.001052 0.4671 12.8205
239 1SC3 MLI 0.0002824 0.49336 13.6364
240 4Q3F TLA 0.00459 0.42254 14.5299
241 1H0C AOA 0.01757 0.40239 14.5408
242 1T0S BML 0.01985 0.40585 16.2791
243 1VJO PLP 0.001323 0.4353 17.3028
244 2E1A MSE 0.00022 0.45804 17.3333
245 1A5Z OXM 0.02212 0.4036 19.4357
246 3A8U PLP 0.000000001495 0.6041 20.49
247 4B98 PXG 0.0000001649 0.6116 20.7589
248 1Y2W NAG 0.01292 0.40279 21.1268
249 1SS4 CIT 0.00358 0.48122 21.5686
250 1SS4 GSH 0.03869 0.4124 21.5686
251 4BA5 PXG 0.0000004819 0.58755 22.7171
252 3BS8 PMP 0.000000008953 0.64136 24.0535
253 3R35 4CO 0.006843 0.40331 25.8278
254 3FQ8 PMP 0.0000002937 0.61499 29.9766
255 4AOA IK2 0.00000007812 0.62254 30.1762
256 3TA2 ATP 0.007927 0.40387 30.5085
257 4ZM4 PLP 0.001275 0.47135 30.5122
258 4ZM4 P3B 0.002079 0.44464 30.5122
259 5DDW 5B6 0.001234 0.45115 31.1804
260 4UOX PLP 0.000000002085 0.71411 34.5212
261 4UOX PUT 0.00000002323 0.64585 34.5212
262 4UOX PLP PUT 0.00000003925 0.61805 34.5212
263 4E3Q PMP 0.0000002491 0.5651 35.412
264 4UHO PLP 0.0001045 0.55158 36.5256
265 1MLY ACZ PLP 0.00000004572 0.63984 37.9953
266 2OAT PFM 0.0009365 0.46874 39.6355
267 5G4J EXT 0.01185 0.41329 39.6437
268 1ZC9 PMP 0.0000000006914 0.72148 40.6467
269 4ADC PLP 0.0004263 0.46388 40.8867
270 1SFF IK2 0.0000000002094 0.74863 42.2535
271 4ZSY RW2 0.0000298 0.52324 42.9844
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