Receptor
PDB id Resolution Class Description Source Keywords
2R00 2.03 Å EC: 1.2.1.11 CRYSTAL STRUCTURE OF ASPARTATE SEMIALDEHYDE DEHYDROGENASE II COMPLEXED WITH ASA FROM VIBRIO CHOLERAE VIBRIO CHOLERAE ASPARTATE SEMIALDEHYDE DEHYDROGENASE CONFORMATIONAL CHANGEHALF-OF-SITES-REACTIVITY PROTEIN EVOLUTION SEQUENCE HOMOLOGY SUBUNIT COMMUNICATION AMINO-ACID BIOSYNTHESIS DIAMINOPIMELATE BIOSYNTHESIS LYSINE BIOSYNTHESIS NADP OXIDOREDUCTASE
Ref.: THE STRUCTURE OF A REDUNDANT ENZYME: A SECOND ISOFORM OF ASPARTATE BETA-SEMIALDEHYDE DEHYDROGENASE IN VIBRIO CHOLERAE. ACTA CRYSTALLOGR.,SECT.D V. 64 321 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OEG C:1;
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
2R00 2.03 Å EC: 1.2.1.11 CRYSTAL STRUCTURE OF ASPARTATE SEMIALDEHYDE DEHYDROGENASE II COMPLEXED WITH ASA FROM VIBRIO CHOLERAE VIBRIO CHOLERAE ASPARTATE SEMIALDEHYDE DEHYDROGENASE CONFORMATIONAL CHANGEHALF-OF-SITES-REACTIVITY PROTEIN EVOLUTION SEQUENCE HOMOLOGY SUBUNIT COMMUNICATION AMINO-ACID BIOSYNTHESIS DIAMINOPIMELATE BIOSYNTHESIS LYSINE BIOSYNTHESIS NADP OXIDOREDUCTASE
Ref.: THE STRUCTURE OF A REDUNDANT ENZYME: A SECOND ISOFORM OF ASPARTATE BETA-SEMIALDEHYDE DEHYDROGENASE IN VIBRIO CHOLERAE. ACTA CRYSTALLOGR.,SECT.D V. 64 321 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2R00 - OEG C4 H6 O5 C(C(=O)O)O....
70% 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 2R00 - OEG C4 H6 O5 C(C(=O)O)O....
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 2R00 - OEG C4 H6 O5 C(C(=O)O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OEG; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 OEG 1 1
2 VKC 0.5 0.826087
3 TEG 0.413793 0.76
4 OP2 0.4 0.730769
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2R00; Ligand: OEG; Similar sites found: 305
This union binding pocket(no: 1) in the query (biounit: 2r00.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.003923 0.43344 None
2 4TMK T5A 0.01489 0.42677 None
3 3TA2 ATP 0.0226 0.41952 None
4 1UO5 PIH 0.01414 0.41501 None
5 3TA2 AKG 0.0285 0.40943 None
6 2J9D ADP 0.02738 0.40369 None
7 1I9G SAM 0.01932 0.43368 1.42857
8 1RY2 AMP 0.01277 0.42228 1.4881
9 2IZ1 ATR 0.001819 0.4143 1.4881
10 1OTH PAO 0.0002231 0.51559 1.55763
11 1A69 FMB 0.04098 0.42642 1.68067
12 1Z42 HBA 0.001764 0.46697 1.78571
13 2I4O ATP 0.0009519 0.45232 1.78571
14 1RYI GOA 0.004133 0.44111 1.78571
15 1VBH PEP 0.001582 0.43341 1.78571
16 2EFJ SAH 0.005114 0.42895 1.78571
17 4P05 4NS 0.007906 0.42753 1.78571
18 2J8Z NAP 0.01575 0.42195 1.78571
19 2EFJ 37T 0.005021 0.41472 1.78571
20 3UH0 TSB 0.01661 0.41391 1.78571
21 1GPJ CIT 0.002542 0.40569 1.78571
22 3IB8 AMP 0.008872 0.41381 1.81818
23 2EB5 OXL 0.001473 0.41409 1.87266
24 4G10 GSH 0.006731 0.42142 1.88679
25 1TDF NAP 0.002769 0.49307 1.89873
26 1TDF FAD 0.005226 0.46341 1.89873
27 3PJU C2E 0.005232 0.44224 2.00803
28 4DVE BTN 0.0005212 0.46395 2.0202
29 3I7S PYR 0.0007953 0.42431 2.05479
30 3AHC TPP 0.00139 0.4742 2.08333
31 4IVG ANP 0.003623 0.47407 2.08333
32 2HGS ADP 0.0043 0.43994 2.08333
33 2NLI FMN 0.02059 0.43963 2.08333
34 2NLI LAC 0.02181 0.43963 2.08333
35 2HGS GSH 0.003789 0.43054 2.08333
36 3FPZ AHZ 0.02356 0.44689 2.14724
37 2FWP CIT 0.001758 0.47067 2.18579
38 2FWP ICR 0.002924 0.46493 2.18579
39 2B7N NTM 0.0005507 0.41967 2.1978
40 1U7Z PMT 0.01008 0.43622 2.21239
41 3VKX T3 0.00925 0.42178 2.29885
42 3IOI 1GW 0.00008782 0.53528 2.34899
43 3LIH RAF 0.002455 0.44564 2.38095
44 4NTD FAD 0.02038 0.42633 2.38095
45 4NES UD1 0.009606 0.41831 2.38095
46 4NES UDP 0.0108 0.41406 2.38095
47 3SUC ATP 0.04351 0.40975 2.38095
48 1RQH PYR 0.005068 0.40468 2.38095
49 1YAG ATP 0.01354 0.41812 2.4
50 1DXY COI 0.00849 0.40902 2.4024
51 1NW5 SAM 0.002871 0.44447 2.50784
52 1QH9 LAC 0.0002901 0.44147 2.58621
53 2J7T 274 0.007889 0.43645 2.64901
54 4C1K PEP 0.003993 0.41907 2.67176
55 3IHB TRS 0.000002956 0.65585 2.67857
56 2WQP WQP 0.001298 0.47114 2.67857
57 4GCS 1RG 0.001846 0.45977 2.67857
58 1B9I PXG 0.002097 0.4563 2.67857
59 4OYA 1VE 0.02908 0.44911 2.67857
60 1T10 F6P 0.0003682 0.42683 2.67857
61 3ZY6 GFB 0.007987 0.42563 2.67857
62 3V1U NAD 0.01487 0.41913 2.67857
63 1FDJ 13P 0.003952 0.41619 2.67857
64 1L1Q 9DA 0.0007368 0.47183 2.68817
65 3H22 B53 0.001357 0.44548 2.6936
66 1WUR 8DG 0.001475 0.46171 2.72727
67 2YD6 FLC 0.00162 0.45998 2.83019
68 2D37 FMN 0.02753 0.40763 2.84091
69 2PNZ UDP 0.01451 0.41963 2.88809
70 1T57 FMN 0.009504 0.42377 2.91262
71 3HY3 10F 0.007462 0.43034 2.95567
72 4W6Z ETF 0.001003 0.45192 2.97619
73 3CXO 3LR 0.004275 0.44928 2.97619
74 2ZJ3 G6P 0.005714 0.43061 2.97619
75 1PL6 NAD 0.007204 0.42943 2.97619
76 1PL6 572 0.01386 0.42943 2.97619
77 4USQ FAD 0.03281 0.41202 2.97619
78 4PO2 ASN ARG LEU LEU LEU THR GLY 0.01497 0.41449 2.97872
79 1JAC AMG 0.005061 0.42807 3.00752
80 4B16 NAG 0.01482 0.40537 3.00752
81 4I71 AGV 0.009871 0.41776 3.0303
82 2Q3M MLA 0.002309 0.43519 3.06748
83 2AEB ABH 0.0007097 0.48197 3.10559
84 1HFA PIO 0.003237 0.45688 3.11419
85 1Y8O ADP 0.001721 0.44088 3.125
86 3R51 MMA 0.005682 0.4171 3.125
87 2P1M IHP 0.01693 0.41643 3.125
88 1GVF PGH 0.004686 0.41603 3.14685
89 1B74 DGN 0.006586 0.40664 3.14961
90 2VJJ RAM GLC GAL NAG NAG GLC 0.003929 0.47185 3.27381
91 2DKH FAD 0.002534 0.46555 3.27381
92 2DKH 3HB 0.005069 0.45748 3.27381
93 3Q9T FAY 0.005833 0.45342 3.27381
94 3JDW ORN 0.001624 0.44952 3.27381
95 2XVE FAD 0.02316 0.43952 3.27381
96 3HZL 6PC 0.004321 0.42261 3.27381
97 2BLE 5GP 0.0475 0.4218 3.27381
98 2J0W ADP 0.008173 0.41961 3.27381
99 2XUM OGA 0.002651 0.40682 3.27381
100 1H2M OGA 0.002728 0.40631 3.27381
101 1PR9 NAP 0.005974 0.44735 3.27869
102 1Y1A GSH 0.01505 0.41767 3.27869
103 2YCJ C2F 0.007214 0.41788 3.32103
104 2W1A TSA 0.007818 0.41161 3.33333
105 1NZY BCA 0.008255 0.43416 3.34572
106 4DQ2 BTX 0.007524 0.43745 3.35366
107 1JN2 SFP 0.04161 0.41505 3.37553
108 1UQX MMA 0.02031 0.41123 3.53982
109 4IOK XPO 0.001868 0.45867 3.57143
110 4IOK ADP 0.01091 0.42697 3.57143
111 2AMV BIN 0.03126 0.42603 3.57143
112 4HZX G39 0.02243 0.42519 3.57143
113 4WBD CIT 0.002512 0.42515 3.57143
114 4M2K PLP 0.003871 0.42253 3.57143
115 1FP1 SAH 0.00649 0.42214 3.57143
116 1XNK XS2 0.008628 0.4165 3.57143
117 1TRD PGH 0.005126 0.42226 3.6
118 4IS0 1R4 0.001297 0.46432 3.73444
119 4IS0 GDS 0.001036 0.46071 3.73444
120 3C1O NAP 0.003628 0.44674 3.73832
121 1C4U IH1 0.002962 0.44288 3.861
122 1ZGA HMK 0.000957 0.45495 3.86905
123 4ARF IP8 GLY PRO ALA 0.001869 0.44675 3.86905
124 1ZGA SAH 0.004477 0.42726 3.86905
125 4LWA Q13 0.02317 0.42448 3.86905
126 2PTZ PAH 0.005985 0.42374 3.86905
127 1OFH ADP 0.006943 0.4349 3.87097
128 2PWY SAH 0.002272 0.45467 3.87597
129 1UXG FUM 0.005074 0.45643 3.8835
130 1UXG NAD 0.005074 0.45643 3.8835
131 1WHT BZS 0.00154 0.41537 3.92157
132 2P69 PLP 0.00113 0.41107 3.92157
133 3OZG SSI 0.002802 0.43875 4
134 3CEV ARG 0.0007786 0.40084 4.01338
135 1JA9 NDP 0.01841 0.44835 4.0146
136 1JA9 PYQ 0.01978 0.41715 4.0146
137 2GDZ NAD 0.003081 0.45751 4.11985
138 3SVL FMN 0.007287 0.4219 4.14508
139 4GYW UDP 0.001153 0.48092 4.16667
140 2C31 ADP 0.01129 0.46077 4.16667
141 2C31 TZD 0.01157 0.46077 4.16667
142 4KCF FMN 0.005894 0.41954 4.16667
143 4KCF AKM 0.0144 0.41685 4.16667
144 1I8T FAD 0.03536 0.41187 4.16667
145 2IUW AKG 0.009856 0.40459 4.20168
146 4LSJ LSJ 0.002574 0.44856 4.26357
147 2H6B 3C4 0.01261 0.42255 4.4
148 1A5V Y3 0.00009682 0.4446 4.43038
149 3L24 GOA 0.002323 0.43507 4.46429
150 2CKM AA7 0.03229 0.41898 4.46429
151 1T3D CYS 0.003703 0.41046 4.49827
152 1DSS NAD 0.01774 0.41546 4.5045
153 1H9G COA MYR 0.001131 0.47398 4.52675
154 2HGZ PBF 0.003576 0.44704 4.57516
155 3ZZQ TRP 0.003058 0.43474 4.61538
156 3U4C NDP 0.004131 0.45 4.62633
157 1N46 PFA 0.02774 0.41099 4.65116
158 2PT9 2MH 0.001267 0.48153 4.6729
159 2PT9 S4M 0.002695 0.45445 4.6729
160 3TO7 COA 0.02041 0.40733 4.71014
161 3PAK MAN 0.002792 0.43992 4.72973
162 1V2G OCA 0.008989 0.4113 4.73684
163 4AF5 CIT 0.002577 0.40572 4.73684
164 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.001423 0.48604 4.7619
165 3ZTV ADN 0.0004015 0.47455 4.7619
166 1X54 4AD 0.01031 0.42524 4.7619
167 1PEA ACM 0.007744 0.40352 4.7619
168 1I0Z OXM 0.008428 0.40917 4.8048
169 3CL7 HYN 0.02118 0.41036 4.87013
170 3S2Y FMN 0.0009533 0.46455 5.02513
171 5YAS FAC 0.00034 0.4722 5.05837
172 1KBJ FMN 0.004871 0.44223 5.05952
173 4LIT AKG 0.001687 0.40348 5.05952
174 3SBZ MLI 0.001759 0.40135 5.05952
175 1GSA GSH 0.01028 0.44407 5.06329
176 1GSA ADP 0.01678 0.43843 5.06329
177 1JGS SAL 0.001172 0.47034 5.07246
178 1EDO NAP 0.03488 0.43357 5.32787
179 3TXO 07U 0.0002698 0.48234 5.35714
180 3DDN HPV 0.002841 0.4224 5.35714
181 1PDZ PGA 0.003794 0.40352 5.35714
182 5FIT AP2 0.0124 0.40501 5.44218
183 4INB 1F6 0.0006863 0.47326 5.47945
184 2OI2 DP6 0.001627 0.44462 5.47945
185 1KOL NAD 0.00347 0.46242 5.52764
186 3N5O GSH 0.001218 0.45965 5.53191
187 2ZWS PLM 0.01972 0.40757 5.65476
188 1VR0 3SL 0.002988 0.4275 5.66802
189 2B82 ADN 0.0009674 0.46836 5.6872
190 3VPD ANP 0.01065 0.4198 5.69395
191 1KHT AMP 0.01207 0.40069 5.72917
192 2YK7 CSF 0.01108 0.41725 5.82822
193 3VPQ GSH 0.0004691 0.42566 5.88235
194 3IL6 B83 0.003048 0.44327 5.919
195 4JLV ADP 0.01588 0.40801 5.94796
196 2YVF FAD 0.005854 0.47013 5.95238
197 4QVH FLC 0.004672 0.44218 5.95238
198 3IO3 ADP 0.003048 0.44131 5.95238
199 2YVF NAD 0.04691 0.42329 5.95238
200 4G1V FAD 0.02239 0.41327 5.95238
201 1MG1 MAL 0.02401 0.4048 5.95238
202 3Q3C NAD 0.03541 0.42463 6.02007
203 4O1M NAD 0.008538 0.4361 6.03175
204 1XHL NDP 0.003541 0.4572 6.06061
205 3GEG NAD 0.02432 0.41153 6.07287
206 2BZ1 TAU 0.0119 0.41885 6.12245
207 1V2X SAM 0.0007659 0.47105 6.18557
208 3O03 NAP 0.009018 0.43093 6.18557
209 2HCR AMP 0.01504 0.40009 6.25
210 2P4T NAP 0.0261 0.41367 6.45161
211 1E7S NAP 0.02615 0.41476 6.54206
212 1HEX NAD 0.003565 0.45166 6.54762
213 1KC7 PPR 0.005585 0.40289 6.54762
214 1C1L GAL BGC 0.00272 0.41613 6.56934
215 4JCA CIT 0.00926 0.41532 6.58683
216 1HQL GLA MBG 0.002259 0.41954 6.61479
217 1L7N ALF 0.02213 0.40158 6.63507
218 3KJI ADP 0.002081 0.44463 6.69291
219 1SOW NAD 0.001054 0.48281 6.70732
220 3S9K CIT 0.006046 0.434 6.77966
221 1LO0 BC1 0.01322 0.4154 6.81818
222 2YBQ SAH 0.001489 0.45769 6.84932
223 2YBQ UP2 0.004718 0.45583 6.84932
224 3CBG FER 0.006549 0.41425 6.89655
225 1LTH FBP 0.003605 0.40023 6.89655
226 3QDT A2G GAL 0.0009354 0.44409 6.99301
227 3QDY A2G GAL 0.001178 0.43968 6.99301
228 3QDX A2G GAL 0.00108 0.42407 6.99301
229 3QDV A2G 0.001335 0.41014 6.99301
230 3QDW NDG 0.004028 0.40891 6.99301
231 3QDV NDG 0.004465 0.40701 6.99301
232 2C4I BTN 0.0001756 0.49342 7.01107
233 2BNE U5P 0.003698 0.45814 7.05394
234 2BOI MFU 0.0009061 0.40658 7.07965
235 1FIQ MTE 0.001794 0.46886 7.14286
236 1FIQ SAL 0.00204 0.46886 7.14286
237 1GJW GLC 0.0002172 0.46256 7.14286
238 2XK9 XK9 0.00485 0.45296 7.14286
239 1FIQ FAD 0.008328 0.44143 7.14286
240 4R33 SAH 0.02955 0.41323 7.14286
241 4R33 TRP 0.02955 0.41323 7.14286
242 3MAG 3MA 0.01021 0.41326 7.16612
243 3MBG FAD 0.01021 0.42693 7.19424
244 4BT5 23B 0.001359 0.44259 7.393
245 1R27 MGD 0.002381 0.47049 7.44048
246 3ZLM ANP 0.0006739 0.47148 7.44681
247 1V6A TRE 0.0007862 0.41294 7.53012
248 1U3I GSH 0.0004854 0.42383 7.58294
249 3F81 STT 0.01193 0.40217 7.65027
250 2QGI UDP 0.000647 0.45021 7.66129
251 3PNL ADP 0.003117 0.44649 7.7381
252 4E1N TQX 0.01584 0.41333 7.83133
253 2OYS FMN 0.006103 0.43108 7.85124
254 1TUV VK3 0.00962 0.40651 7.89474
255 2DTX BMA 0.0155 0.43324 7.95455
256 1O68 KIV 0.0002682 0.41847 8
257 4BI7 PGA 0.003787 0.42296 8.17121
258 1YOA FMN 0.02524 0.40204 8.1761
259 3DCM SAM 0.00624 0.42884 8.33333
260 9LDB OXM 0.0003445 0.48466 8.43373
261 9LDT OXM 0.000381 0.48254 8.43373
262 2F7C CCU 0.002119 0.42792 8.58369
263 1T8U UAP SGN IDS SGN 0.003029 0.46755 8.82353
264 1T8U A3P 0.001459 0.4581 8.82353
265 2BGM MAX 0.008341 0.42961 8.99281
266 1SC3 MLI 0.00518 0.41125 9.09091
267 4TSK NDP 0.01543 0.44617 9.22619
268 1BGQ RDC 0.002964 0.45402 9.33333
269 1TU3 GNP 0.003313 0.45019 9.35672
270 2IMP NAI 0.04603 0.43114 9.52381
271 3BL6 FMC 0.0009871 0.46385 9.56522
272 1NME 159 0.009041 0.41344 9.78261
273 1R37 NAD 0.005517 0.45022 9.79827
274 1R37 ETX 0.0006911 0.4453 9.79827
275 3TKA CTN 0.0009563 0.4746 9.82143
276 2Y88 2ER 0.03331 0.40867 9.83607
277 1IYE PGU 0.005943 0.445 10.0324
278 1O9U ADZ 0.0005042 0.46571 10.119
279 1NVU GTP 0.01321 0.44827 10.241
280 2XI7 XI7 0.002073 0.45769 10.3261
281 2X2T GAL NGA 0.009485 0.40679 10.4575
282 1B8U OAA 0.0343 0.40894 10.6383
283 1UJ5 5RP 0.003222 0.43131 11.0132
284 4F8L GAL 0.0101 0.4225 11.0345
285 1P9P SAH 0.01571 0.4135 11.4943
286 4BAS GNP 0.003089 0.44487 11.5578
287 3W8S GSH 0.0005714 0.42119 11.6505
288 1IS3 LAT 0.004889 0.40534 11.8519
289 2QQF A1R 0.00992 0.42752 12.3377
290 4A6F SEP 0.01038 0.41291 12.5
291 2XDQ MGX 0.01146 0.40299 12.7976
292 1Q3Q ANP 0.01259 0.45076 13.0952
293 3E6J DR2 0.009036 0.41168 13.5371
294 3DAG FEG 0.002046 0.46014 14.5833
295 1UBY DMA 0.01504 0.40743 14.5833
296 1UWZ THU 0.004275 0.4304 14.7059
297 2Q97 ATP 0.0005972 0.48008 14.7287
298 2NZU BG6 0.009133 0.40333 15.9091
299 2F01 BTQ 0.03094 0.43466 16.5354
300 2F01 BTN 0.03478 0.43196 16.5354
301 2NT8 ATP 0.00435 0.44892 18.3857
302 1NU4 MLA 0.006227 0.4237 18.5567
303 1I2B USQ 0.02571 0.43325 24.7024
304 1I2B NAD 0.02571 0.43325 24.7024
305 1I2B UPG 0.02571 0.43325 24.7024
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