Receptor
PDB id Resolution Class Description Source Keywords
1NNS 1.95 Å EC: 3.5.1.1 L-ASPARAGINASE OF E. COLI IN C2 SPACE GROUP AND 1.95 A RESOL ESCHERICHIA COLI L-ASPARAGINASE AMIDROHYDROLASE CRYSTALLOGRAPHIC COMPARISONHYDROLASE
Ref.: STRUCTURAL COMPARISON OF ESCHERICHIA COLI L-ASPARAG TWO MONOCLINIC SPACE GROUPS. ACTA CRYSTALLOGR.,SECT.D V. 59 416 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP A:427;
B:428;
Valid;
Valid;
none;
none;
submit data
133.103 C4 H7 N O4 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NNS 1.95 Å EC: 3.5.1.1 L-ASPARAGINASE OF E. COLI IN C2 SPACE GROUP AND 1.95 A RESOL ESCHERICHIA COLI L-ASPARAGINASE AMIDROHYDROLASE CRYSTALLOGRAPHIC COMPARISONHYDROLASE
Ref.: STRUCTURAL COMPARISON OF ESCHERICHIA COLI L-ASPARAG TWO MONOCLINIC SPACE GROUPS. ACTA CRYSTALLOGR.,SECT.D V. 59 416 2003
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1HO3 - ASP C4 H7 N O4 C([C@@H](C....
2 3ECA - ASP C4 H7 N O4 C([C@@H](C....
3 1NNS - ASP C4 H7 N O4 C([C@@H](C....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5K3O - ASP C4 H7 N O4 C([C@@H](C....
2 5K4H - GLU C5 H9 N O4 C(CC(=O)O)....
3 5K45 - GLU C5 H9 N O4 C(CC(=O)O)....
4 5K4G - ASP C4 H7 N O4 C([C@@H](C....
5 2WLT - ASP C4 H7 N O4 C([C@@H](C....
6 2WT4 - ASP C4 H7 N O4 C([C@@H](C....
7 1HO3 - ASP C4 H7 N O4 C([C@@H](C....
8 3ECA - ASP C4 H7 N O4 C([C@@H](C....
9 1NNS - ASP C4 H7 N O4 C([C@@H](C....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1HG0 - SIN C4 H6 O4 O=C([O-])C....
2 1HFW - GLU C5 H9 N O4 C(CC(=O)O)....
3 5F52 - ASP C4 H7 N O4 C([C@@H](C....
4 5HW0 - GLU C5 H9 N O4 C(CC(=O)O)....
5 1HG1 - DAS C4 H7 N O4 C([C@H](C(....
6 5K3O - ASP C4 H7 N O4 C([C@@H](C....
7 5K4H - GLU C5 H9 N O4 C(CC(=O)O)....
8 5K45 - GLU C5 H9 N O4 C(CC(=O)O)....
9 5K4G - ASP C4 H7 N O4 C([C@@H](C....
10 2WLT - ASP C4 H7 N O4 C([C@@H](C....
11 2WT4 - ASP C4 H7 N O4 C([C@@H](C....
12 2JK0 - ASP C4 H7 N O4 C([C@@H](C....
13 1HO3 - ASP C4 H7 N O4 C([C@@H](C....
14 3ECA - ASP C4 H7 N O4 C([C@@H](C....
15 1NNS - ASP C4 H7 N O4 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP 1 1
2 DAS 1 1
3 ASN 0.636364 0.793103
4 SER 0.545455 0.714286
5 DBB 0.545455 0.692308
6 2RA 0.545455 0.689655
7 ABA 0.545455 0.692308
8 DSN 0.545455 0.714286
9 DCY 0.521739 0.703704
10 CYS 0.521739 0.703704
11 C2N 0.521739 0.666667
12 SD4 0.5 0.648649
13 DGL 0.481481 0.846154
14 GLU 0.481481 0.846154
15 GGL 0.481481 0.846154
16 DAB 0.48 0.612903
17 HSE 0.48 0.758621
18 LEU 0.461538 0.642857
19 AS2 0.461538 0.916667
20 HCS 0.461538 0.655172
21 CSO 0.461538 0.6875
22 NVA 0.461538 0.62069
23 API 0.461538 0.75
24 CSS 0.444444 0.633333
25 CSD 0.444444 0.615385
26 11C 0.433333 0.814815
27 UN1 0.433333 0.814815
28 GLN 0.428571 0.7
29 DGN 0.428571 0.7
30 NPI 0.40625 0.785714
31 NCD 0.4 0.705882
32 ONL 0.4 0.7
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NNS; Ligand: ASP; Similar sites found: 444
This union binding pocket(no: 1) in the query (biounit: 1nns.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WCI GSH 0.0001666 0.46892 None
2 3PNA CMP 0.001364 0.40808 None
3 1UO5 PIH 0.04217 0.4038 None
4 2R40 EPH 0.009941 0.40816 1.12782
5 1X1T NAD 0.04382 0.40866 1.15385
6 1R37 NAD 0.0003845 0.47128 1.22699
7 1G8S MET 0.002505 0.42673 1.30435
8 1XHL NDP 0.01299 0.40515 1.3468
9 2WIC GNP 0.001825 0.42929 1.49813
10 1SOW NAD 0.009223 0.41133 1.53374
11 1RRC ADP 0.001384 0.43141 1.66113
12 3Q9T FAY 0.004882 0.42965 1.84049
13 1ME8 RVP 0.01843 0.42923 1.84049
14 3BAZ NAP 0.004972 0.41425 1.84049
15 1MOQ GLP 0.003588 0.40946 1.84049
16 1F8F NAD 0.03378 0.40558 1.84049
17 3TXO 07U 0.003258 0.40461 1.84049
18 1A5V Y3 0.0008593 0.40864 1.89873
19 2AE2 NAP 0.008404 0.42162 1.92308
20 2AE2 PTO 0.008404 0.42162 1.92308
21 1C4U IH1 0.005702 0.4026 1.9305
22 3CQD ATP 0.01445 0.40863 1.94175
23 3WBF API 0.01132 0.40879 1.96721
24 3WBF NAP 0.008617 0.40879 1.96721
25 3LM9 FRU 0.0008792 0.44283 1.98676
26 3ZS7 ATP 0.007068 0.40337 2
27 2HW1 ANP 0.00423 0.41045 2.01342
28 1C3V NDP 0.008652 0.41127 2.04082
29 3O03 NAP 0.009915 0.40359 2.06186
30 4R33 SAH 0.008195 0.41465 2.14286
31 4R33 TRP 0.008195 0.41465 2.14286
32 3NKS FAD 0.002821 0.43865 2.14724
33 4HA6 FAD 0.004063 0.43803 2.14724
34 1QF5 RPL 0.007713 0.42949 2.14724
35 1QF5 GDP 0.007713 0.42949 2.14724
36 1RYI FAD 0.006567 0.42717 2.14724
37 4N02 FNR 0.01232 0.42369 2.14724
38 3FC2 IBI 0.004463 0.42184 2.14724
39 3CKJ CIT 0.003571 0.42157 2.14724
40 4NE2 ADP 0.008066 0.41494 2.14724
41 1DSS NAD 0.00571 0.41183 2.14724
42 3FSY SCA 0.01627 0.40593 2.14724
43 1RYI GOA 0.02268 0.40573 2.14724
44 3WMX THR 0.004117 0.40521 2.14724
45 1LC8 33P 0.01104 0.40169 2.14724
46 4NE2 SH2 0.01915 0.40139 2.14724
47 2DWU DGL 0.001166 0.41069 2.17391
48 3C1O NAP 0.001834 0.43006 2.18069
49 1O68 KIV 0.001274 0.40125 2.18182
50 4CS4 ANP 0.002876 0.43829 2.18978
51 3RFV NAI 0.01143 0.40243 2.24719
52 3ZEI AWH 0.005307 0.41741 2.25806
53 1Q6O LG6 0.004703 0.40079 2.31481
54 2J7T 274 0.01087 0.40465 2.31788
55 3TN7 NJP 0.004321 0.42373 2.33463
56 2Q2V NAD 0.001559 0.44464 2.35294
57 1J5P NAD 0.003514 0.42331 2.37154
58 2EWM NAD 0.002516 0.43342 2.40964
59 1T57 FMN 0.002256 0.42302 2.42718
60 1Q0H FOM 0.0007247 0.4723 2.45399
61 1Q0H NDP 0.0008034 0.4723 2.45399
62 1O9U ADZ 0.001004 0.46874 2.45399
63 2ZWS PLM 0.00384 0.45959 2.45399
64 1H9A NAP 0.001367 0.4483 2.45399
65 1TUF AZ1 0.0007177 0.44636 2.45399
66 1LVL FAD 0.003839 0.4391 2.45399
67 3FC4 EDO 0.007225 0.4347 2.45399
68 2QS8 MET 0.003339 0.42564 2.45399
69 2RDT 2RD 0.01689 0.42549 2.45399
70 4AT0 FAD 0.01024 0.42411 2.45399
71 2IMP NAI 0.02525 0.42287 2.45399
72 3K56 IS3 0.001267 0.42017 2.45399
73 3CXO 1N5 0.008102 0.41245 2.45399
74 2Q8M FBP 0.002886 0.4089 2.45399
75 2YPO PHE 0.009246 0.40883 2.45399
76 1WVG APR 0.006792 0.40879 2.45399
77 2H8Z FMN 0.008802 0.40841 2.45399
78 2H8Z 8CM 0.008802 0.40841 2.45399
79 2RDT FMN 0.03041 0.40764 2.45399
80 4KCF AKM 0.006961 0.40527 2.45399
81 1CL2 PPG 0.005336 0.40467 2.45399
82 2OWZ CIT 0.007111 0.40327 2.45399
83 1R0X ATP 0.01751 0.40088 2.45399
84 1H9G COA MYR 0.006961 0.40982 2.46914
85 4E13 NAD 0.001609 0.42696 2.4735
86 1E7S NAP 0.007475 0.41513 2.49221
87 3R51 MMA 0.003735 0.41995 2.5
88 1QJC PNS 0.01342 0.42242 2.53165
89 3PVT 3HC 0.006146 0.42436 2.57235
90 3MAG 3MA 0.0277 0.4058 2.60586
91 3MCT SAH 0.007689 0.40023 2.6936
92 4LSJ LSJ 0.002901 0.4169 2.71318
93 1I2B NAD 0.0228 0.41324 2.72277
94 1I2B UPG 0.0228 0.41324 2.72277
95 1I2B USQ 0.0228 0.41324 2.72277
96 2YBQ UP2 0.02045 0.40121 2.73973
97 3ICC NAP 0.007478 0.41512 2.7451
98 2JFV FLC 0.001307 0.43883 2.74914
99 2WUF KEM 0.008946 0.40092 2.74914
100 2C7G ODP 0.006068 0.43881 2.76074
101 2C7G FAD 0.006306 0.43881 2.76074
102 2IZ1 ATR 0.001685 0.4341 2.76074
103 2EFJ SAH 0.000788 0.43278 2.76074
104 3ZY6 GFB 0.001244 0.43135 2.76074
105 1TIW FAD 0.004579 0.43083 2.76074
106 1TIW TFB 0.004579 0.43083 2.76074
107 4O8A FAD 0.002984 0.43036 2.76074
108 2CKM AA7 0.00636 0.42776 2.76074
109 1JQI FAD 0.005483 0.42537 2.76074
110 3QV9 QV7 0.002368 0.42139 2.76074
111 1B9I PXG 0.005804 0.40842 2.76074
112 3IO3 ADP 0.003911 0.40801 2.76074
113 1Y42 TYR 0.005295 0.40155 2.76074
114 3I6B KDO 0.0006961 0.41121 2.77778
115 1TDF NAP 0.00845 0.44156 2.8481
116 1I9G SAM 0.01368 0.41698 2.85714
117 1PR9 NAP 0.01386 0.40512 2.86885
118 3UIE ANP 0.0004047 0.43338 3
119 1FS5 TLA 0.006417 0.41197 3.00752
120 2V7T SAH 0.04089 0.41674 3.01003
121 3TKA CTN 0.001537 0.47624 3.06748
122 1LDM NAD 0.001413 0.47292 3.06748
123 1REO FAD 0.001497 0.45252 3.06748
124 3FPZ AHZ 0.01165 0.43847 3.06748
125 2Q1S NAI 0.005866 0.43116 3.06748
126 1YBH P22 0.0006787 0.42502 3.06748
127 1YBH FAD 0.008021 0.4215 3.06748
128 4KXV TDP DX5 0.008014 0.42051 3.06748
129 1VJT NAD 0.003809 0.41039 3.06748
130 4G87 UD1 0.02577 0.40536 3.06748
131 3JDW ORN 0.003908 0.40386 3.06748
132 1HEX NAD 0.01061 0.40375 3.06748
133 2AEB ABH 0.002253 0.43862 3.10559
134 2PT9 S4M 0.0009608 0.44299 3.11526
135 2PT9 2MH 0.007362 0.41775 3.11526
136 4O1M NAD 0.0032 0.42778 3.1746
137 3K9W 4PS 0.02818 0.42656 3.20856
138 3K9W ADE 0.02818 0.42656 3.20856
139 2OD9 A1R NCA 0.005101 0.41945 3.24675
140 2QQF A1R 0.009953 0.40209 3.24675
141 1RM4 NDP 0.02696 0.4126 3.2641
142 2VHJ ADP 0.001588 0.42524 3.32326
143 1ULE GLA GAL NAG 0.005995 0.42361 3.33333
144 3Q3C NAD 0.02631 0.40907 3.34448
145 1MVN PCO 0.01086 0.42866 3.34928
146 1MVN FMN 0.008434 0.41957 3.34928
147 1H6C SIN 0.001402 0.45373 3.37423
148 1SB8 UD2 0.003309 0.44889 3.37423
149 1SB8 NAD 0.003773 0.44304 3.37423
150 4K5S PM0 0.007462 0.43094 3.37423
151 4K5S FAD 0.003329 0.43094 3.37423
152 3PFG SAM 0.006163 0.42737 3.37423
153 3PFG TLO 0.006163 0.42737 3.37423
154 1H6C NDP 0.01081 0.41397 3.37423
155 1RYD NDP 0.01187 0.41225 3.37423
156 1FDJ 2FP 0.002357 0.4075 3.37423
157 4AF0 IMP 0.02857 0.40455 3.37423
158 3LPF Z77 0.009759 0.40386 3.37423
159 1TOI HCI 0.01186 0.40309 3.37423
160 1FDJ 13P 0.000837 0.40144 3.37423
161 2Z9V PXM 0.00551 0.40086 3.37423
162 1CR1 TTP 0.04293 0.40802 3.37838
163 1P9P SAH 0.003008 0.41807 3.44828
164 3QDY CBS 0.001757 0.44048 3.4965
165 3QDY A2G GAL 0.003779 0.43291 3.4965
166 3QDT A2G GAL 0.003822 0.43269 3.4965
167 1WUR 8DG 0.002642 0.42031 3.63636
168 2V6O FAD 0.004717 0.45432 3.68098
169 3F3E LEU 0.003222 0.43621 3.68098
170 3T31 DCQ 0.008235 0.43437 3.68098
171 3T31 FAD 0.007641 0.43437 3.68098
172 1B8U NAD 0.001606 0.42699 3.68098
173 1B8U OAA 0.003867 0.42699 3.68098
174 1PEA ACM 0.006772 0.42116 3.68098
175 4JB1 FAD 0.03564 0.41551 3.68098
176 4JB1 NAP 0.03452 0.41551 3.68098
177 2TOH HBI 0.005626 0.41055 3.68098
178 1VBH PEP 0.0005884 0.40698 3.68098
179 3B96 FAD 0.02116 0.40158 3.68098
180 1DR1 HBI 0.008215 0.41902 3.7037
181 1DR1 NAP 0.008215 0.41902 3.7037
182 1NN5 ANP 0.0113 0.40524 3.72093
183 1NN5 2DT 0.0113 0.40524 3.72093
184 2XK9 XK9 0.005961 0.42159 3.72671
185 1ZJ6 G3D 0.001251 0.40632 3.74332
186 1HFS L04 0.01086 0.40838 3.75
187 2Q1A 2KT 0.001317 0.43868 3.75427
188 1LTH NAD 0.01765 0.41678 3.76176
189 3GJB AKG 0.002915 0.4065 3.76176
190 3NOJ PYR 0.004973 0.40531 3.78151
191 3IBH GSH 0.00235 0.41859 3.86266
192 2F5T MAL 0.006104 0.4005 3.86266
193 4PLG NAI 0.006028 0.42471 3.89222
194 4PLG OXM 0.006028 0.42471 3.89222
195 1IUP ALQ 0.01014 0.40717 3.90071
196 3BL6 FMC 0.005252 0.40304 3.91304
197 1KBI FMN 0.000687 0.45052 3.98773
198 1KBI PYR 0.000687 0.45052 3.98773
199 2IXB A2G 0.001856 0.44745 3.98773
200 4USQ FAD 0.001709 0.44425 3.98773
201 9LDB NAD 0.002103 0.43663 3.98773
202 4GYW UDP 0.002312 0.43625 3.98773
203 2IXB NAD 0.003148 0.4294 3.98773
204 3UH0 TSB 0.001786 0.4288 3.98773
205 1V6A TRE 0.001646 0.42791 3.98773
206 2QA1 FAD 0.005693 0.42357 3.98773
207 9LDT NAD 0.004851 0.42165 3.98773
208 3PC3 P1T 0.003119 0.41566 3.98773
209 4IVG ANP 0.02085 0.4121 3.98773
210 1V35 NAI 0.01797 0.40837 3.98773
211 4I9A NCN 0.0123 0.40245 3.98773
212 3P0F BAU 0.003325 0.40655 4.0404
213 1ZUW DGL 0.0005171 0.42324 4.04412
214 1KW6 BPY 0.04909 0.40196 4.10959
215 1GSA ADP 0.02954 0.40391 4.11392
216 1GSA GSH 0.0267 0.40094 4.11392
217 1NU4 MLA 0.001078 0.48896 4.12371
218 2VAR AMP 0.0008311 0.42175 4.15335
219 2VAR ANP 0.004004 0.41139 4.15335
220 2HMT NAI 0.01161 0.42173 4.16667
221 2AG8 NAP 0.0009175 0.43655 4.18251
222 4BMO FMN 0.006059 0.41079 4.20168
223 1VDC FAD 0.005554 0.43572 4.2042
224 1UXG FUM 0.003984 0.4334 4.20712
225 1UXG NAD 0.003984 0.4334 4.20712
226 1NVU GTP 0.04008 0.40224 4.21687
227 1WVC CTP 0.0317 0.42017 4.2471
228 1L2T ATP 0.0005728 0.44846 4.25532
229 1C0I FAD 0.001303 0.46127 4.29448
230 1C0I BE2 0.001303 0.46127 4.29448
231 2GSD NAD 0.002535 0.43831 4.29448
232 1U7Z PMT 0.004107 0.42715 4.29448
233 4DQ2 BTX 0.006443 0.41396 4.29448
234 3AHC TPP 0.008546 0.41023 4.29448
235 1BUC FAD 0.01748 0.40307 4.29448
236 1YOA FMN 0.003837 0.45961 4.40252
237 1R6D NAD 0.01921 0.41586 4.45104
238 1R6D DAU 0.01851 0.41586 4.45104
239 3GEG NAD 0.009267 0.40616 4.45344
240 2GDZ NAD 0.004421 0.42201 4.49438
241 1RP0 AHZ 0.02197 0.42143 4.57746
242 1OGD RIP 0.0003566 0.42005 4.58015
243 1G0N NDP 0.006722 0.42375 4.59364
244 1G0N PHH 0.01362 0.41356 4.59364
245 4M5P MLA 0.001503 0.47012 4.60123
246 3LZW FAD 0.002127 0.44495 4.60123
247 3LZW NAP 0.005309 0.44358 4.60123
248 3OND ADN 0.005164 0.4371 4.60123
249 3OND NAD 0.005164 0.4371 4.60123
250 2YVF FAD 0.01194 0.42919 4.60123
251 2YVF NAD 0.01234 0.42919 4.60123
252 3FSJ D7K 0.02934 0.41565 4.60123
253 1GV0 NAD 0.007412 0.41278 4.60123
254 2BLE 5GP 0.02849 0.41152 4.60123
255 3RK0 AMP 0.002924 0.40398 4.64135
256 4JWX 1N4 0.0007281 0.43586 4.64286
257 2X61 NGA GAL SIA 0.003689 0.4499 4.65116
258 2X61 CH 0.005852 0.42734 4.65116
259 1ZK7 FAD 0.007167 0.42918 4.71092
260 2GN3 MMA 0.00537 0.41558 4.7619
261 2GN3 MAN 0.004377 0.41033 4.7619
262 2GMM MAN MAN 0.01236 0.40253 4.7619
263 1ZK4 AC0 0.006542 0.45005 4.78088
264 1ZK4 NAP 0.006542 0.45005 4.78088
265 3O55 FAD 0.002798 0.42431 4.8
266 4QED NAP 0.00495 0.41999 4.83871
267 2W3L DRO 0.01759 0.40848 4.86111
268 1H82 GZZ 0.002969 0.4563 4.90798
269 1H82 FAD 0.002648 0.4563 4.90798
270 2AQJ TRP 0.00415 0.44835 4.90798
271 3A1I UNU 0.0002871 0.43893 4.90798
272 4OYA 1VE 0.02073 0.43417 4.90798
273 2AQJ FAD 0.0114 0.42943 4.90798
274 1IM8 SAI 0.003726 0.41262 4.90798
275 1GPM AMP 0.02313 0.40292 4.90798
276 3F81 STT 0.0006005 0.47954 4.91803
277 1HDR NAD 0.00924 0.42688 4.91803
278 1A8R GTP 0.001242 0.42941 4.97738
279 2WCV FUC 0.001447 0.40662 5
280 4JK3 NAD 0.001193 0.44391 5.01931
281 1FNZ A2G 0.004423 0.43323 5.06329
282 3H86 AP5 0.008514 0.43117 5.20833
283 2XDQ MGX 0.00667 0.42895 5.21472
284 2J07 HDF 0.01514 0.41746 5.21472
285 2J07 FAD 0.01514 0.41746 5.21472
286 1P9B IMO 0.004699 0.41369 5.21472
287 2FFC U5P 0.002851 0.41334 5.21472
288 1XVV CCQ 0.01511 0.40976 5.21472
289 4MZ7 DGT 0.01155 0.40484 5.21472
290 3E6J DR2 0.01851 0.41097 5.24017
291 1GVF PGH 0.000561 0.41418 5.24476
292 1T26 GBD 0.03171 0.42371 5.2795
293 1T26 NAI 0.03171 0.42371 5.2795
294 1I36 NAP 0.004068 0.41457 5.30303
295 4B9E FAH 0.00008095 0.49989 5.31561
296 3VHZ L2P GLC MAN SGA 0.04263 0.40734 5.34351
297 4F8L GAL 0.007909 0.44286 5.51724
298 2HGZ PBF 0.001837 0.43002 5.52147
299 1V9N NDP 0.003568 0.42845 5.52147
300 3GE7 AFQ 0.006552 0.4187 5.52147
301 1KC7 PPR 0.0001761 0.40949 5.52147
302 1XX4 BAM 0.00406 0.40889 5.52147
303 3F8C HT1 0.005446 0.40646 5.55556
304 3P7I P7I 0.004257 0.40533 5.60748
305 4COQ SAN 0.008634 0.4037 5.66802
306 1RBO CAP 0.0338 0.43094 5.69106
307 2HV8 GTP 0.006173 0.40894 5.81395
308 3MPI GRA 0.004586 0.44342 5.82822
309 3NYQ MCA 0.00219 0.43723 5.82822
310 3NYQ AMP 0.002351 0.43723 5.82822
311 3B20 NAD 0.006491 0.40959 5.82822
312 1I0Z OXM 0.02235 0.40341 5.82822
313 2HGS GSH 0.00366 0.4027 5.82822
314 2YHW BM3 0.01151 0.40491 5.8309
315 4U36 TNR 0.006577 0.40784 5.83333
316 2WGC SIA GAL BGC 0.0274 0.41393 5.84795
317 2Y7P SAL 0.005 0.40255 5.9633
318 4FGC PQ0 0.0007081 0.40066 6.06061
319 1QO0 BMD 0.003188 0.42225 6.12245
320 1C3M MAN MAN 0.003951 0.40144 6.12245
321 4C2G ALA ALA ALA ALA 0.0004106 0.42537 6.13497
322 4KQI RBZ 0.007443 0.41397 6.13497
323 4KQI NIO 0.007443 0.41397 6.13497
324 1GJW GLC 0.01356 0.40093 6.13497
325 3UEC ALA ARG TPO LYS 0.009663 0.40751 6.16438
326 2BNF UTP 0.003262 0.43708 6.22407
327 2P1O NLA 0.003981 0.42388 6.25
328 2P1O IHP 0.003981 0.42388 6.25
329 2P1M IHP 0.007314 0.40749 6.25
330 1KOL NAD 0.00142 0.45006 6.28141
331 1A69 FMB 0.03248 0.41017 6.30252
332 3BY8 MLT 0.0009414 0.45253 6.33803
333 1YGC 905 0.002704 0.41621 6.34921
334 2XVE FAD 0.001061 0.47704 6.44172
335 1H2B NAJ 0.004398 0.42591 6.44172
336 4NTD FAD 0.007164 0.42258 6.44172
337 1RZM E4P 0.006409 0.41546 6.44172
338 3K37 BCZ 0.04104 0.413 6.44172
339 4G1V FAD 0.00687 0.41146 6.44172
340 1RZM PEP 0.005623 0.40051 6.44172
341 1V7R CIT 0.0121 0.42417 6.45161
342 2Q37 3AL 0.003097 0.41658 6.62983
343 4M51 BEZ 0.008788 0.4159 6.74847
344 1R27 MGD 0.01946 0.40212 6.74847
345 2PNZ UDP 0.01018 0.4017 6.82731
346 4NAT ADP 0.04425 0.41241 6.875
347 3B1F NAD 0.004078 0.41284 6.89655
348 1Y8O ADP 0.002993 0.40104 7.03125
349 1Z45 NAD 0.001891 0.43715 7.05521
350 3WE0 FAD 0.004423 0.43645 7.05521
351 2P8B NSK 0.04134 0.42212 7.05521
352 1RKD RIB 0.006822 0.41677 7.05521
353 1RKD ADP 0.006822 0.41677 7.05521
354 2NVK NAP 0.002957 0.41164 7.05521
355 1GAD NAD 0.009762 0.40386 7.05521
356 2XBP ATP 0.02302 0.4075 7.07965
357 4HZD COA 0.01935 0.4012 7.0922
358 1JYQ MAZ PTR PTM ASN 0.01016 0.42585 7.29167
359 4W6Z 8ID 0.003994 0.43003 7.36196
360 4C6F NCD 0.001049 0.41799 7.36196
361 4C6F DOR 0.001049 0.41799 7.36196
362 1H8G CHT 0.04076 0.4046 7.36842
363 2BTO GTP 0.00417 0.43256 7.40741
364 1BTN I3P 0.005431 0.45421 7.54717
365 3RGG AIR 0.00251 0.40388 7.54717
366 3ZRR PXG 0.002536 0.4173 7.55208
367 1M5B BN1 0.00625 0.43971 7.60456
368 1EP2 ORO 0.009844 0.41247 7.66284
369 1EP2 FMN 0.01024 0.40438 7.66284
370 2EB5 OXL 0.0004309 0.45944 7.66871
371 4B8V NDG NAG NAG NAG 0.00922 0.40487 7.66871
372 1O7N IND 0.007714 0.40187 7.66871
373 1T8U UAP SGN IDS SGN 0.003837 0.43408 7.72059
374 1T8U A3P 0.00615 0.40225 7.72059
375 3QVL 5HY 0.03723 0.40163 7.7551
376 1OTH PAO 0.01594 0.40144 7.78816
377 1OMZ UD2 0.01251 0.41695 7.84983
378 1BDB NAD 0.02405 0.42073 7.94224
379 1YAG ATP 0.008561 0.40169 8
380 1T0S BML 0.009118 0.41515 8.13953
381 1DLJ NAI 0.002793 0.45047 8.28221
382 1DLJ UGA 0.005346 0.43811 8.28221
383 2YB9 HA0 0.003955 0.42399 8.28221
384 1D6H COA 0.01819 0.4099 8.28221
385 2NCD ADP 0.0003389 0.4562 8.58896
386 3ULK NDP 0.001278 0.43278 8.58896
387 2C31 TZD 0.03049 0.4165 8.58896
388 2C31 ADP 0.0383 0.41139 8.58896
389 3PY5 AMP 0.001865 0.41614 8.75912
390 2O66 FLC 0.001859 0.42573 8.88889
391 4MP8 NAD 0.009669 0.41602 8.89571
392 4MP8 MLI 0.009669 0.41602 8.89571
393 4AAW R84 0.02262 0.40902 8.89571
394 4FR3 0V4 0.03325 0.41369 8.97436
395 1R6W 164 0.001948 0.41543 9.00621
396 1V1A ADP 0.01083 0.40472 9.06149
397 4FDV 0UK 0.0083 0.41324 9.09091
398 3ZPG 5GP 0.002188 0.45239 9.20245
399 2E1A MSE 0.002863 0.4068 9.33333
400 2DTX BMA 0.007365 0.42308 9.4697
401 1F74 NAY 0.001663 0.41805 9.55631
402 3CH5 GDP 0.0003994 0.4243 9.61539
403 1EXB NDP 0.03397 0.4138 9.70874
404 4GQB 0XU 0.02206 0.41248 9.81595
405 3DJL FAD 0.04604 0.41065 9.81595
406 2ZTS ADP 0.002868 0.41324 9.96016
407 1TRD PGH 0.0018 0.4119 10
408 1C1L GAL BGC 0.003957 0.42479 10.1227
409 1X54 4AD 0.003965 0.41665 10.1227
410 3DDC GNP 0.003205 0.42194 10.4294
411 4I71 AGV 0.005222 0.40313 10.4294
412 1YOE RIB 0.01276 0.4018 10.559
413 3MB5 SAM 0.01051 0.42521 10.5882
414 1UKW FAD 0.009934 0.41553 10.7362
415 2FWP ICR 0.002886 0.43595 10.929
416 2FWP CIT 0.007508 0.41382 10.929
417 4BAS GNP 0.007278 0.40117 11.0553
418 3FXU TSU 0.008204 0.40398 11.1475
419 1OLS TDP 0.01322 0.41677 11.3497
420 1QD0 RR6 0.0006382 0.41771 11.7188
421 1LCP PLU 0.0008663 0.4448 12.2699
422 3U4C NDP 0.0006213 0.45547 12.4555
423 1KGQ SCO 0.01342 0.43456 12.7737
424 1KGQ NPI 0.01903 0.42676 12.7737
425 3PNL ADP 0.002952 0.41839 12.7962
426 1PL6 NAD 0.004411 0.41149 13.1902
427 1FIQ FAD 0.01087 0.41067 13.1902
428 4TMK T5A 0.005741 0.41988 13.615
429 3N5O GSH 0.005876 0.40114 13.617
430 1LES GLC FRU 0.008018 0.40756 13.8122
431 1LYX PGA 0.0005323 0.43443 14.1129
432 2GJ3 FAD 0.0062 0.40563 14.1667
433 1DKU AP2 0.008298 0.40742 14.1956
434 1SS4 GSH 0.001685 0.48614 14.3791
435 1SS4 CIT 0.03584 0.40362 14.3791
436 2BJK NAD 0.0125 0.42379 14.7239
437 2DKH 3HB 0.01546 0.40933 15.3374
438 2V5E SCR 0.01715 0.41645 17.5
439 3RF4 FUN 0.005512 0.40086 18.1034
440 3OIG NAD 0.01121 0.42976 18.797
441 1UWZ THU 0.001943 0.41547 19.8529
442 5DNC ASN 0.00002933 0.56417 28.5276
443 2VOH CIT 0.01307 0.40427 34.6154
444 3R35 4CO 0.008158 0.41233 41.7219
Pocket No.: 2; Query (leader) PDB : 1NNS; Ligand: ASP; 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: 1nns.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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