Receptor
PDB id Resolution Class Description Source Keywords
2WLT 1.4 Å EC: 3.5.1.1 THE CRYSTAL STRUCTURE OF HELICOBACTER PYLORI L-ASPARAGINASE AT 1.4 A RESOLUTION HELICOBACTER PYLORI HYDROLASE
Ref.: STRUCTURE OF HELICOBACTER PYLORI L-ASPARAGINASE AT 1.4 A RESOLUTION ACTA CRYSTALLOGR.,SECT.D V. 65 1253 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP A:1333;
Valid;
none;
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133.103 C4 H7 N O4 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WLT 1.4 Å EC: 3.5.1.1 THE CRYSTAL STRUCTURE OF HELICOBACTER PYLORI L-ASPARAGINASE AT 1.4 A RESOLUTION HELICOBACTER PYLORI HYDROLASE
Ref.: STRUCTURE OF HELICOBACTER PYLORI L-ASPARAGINASE AT 1.4 A RESOLUTION ACTA CRYSTALLOGR.,SECT.D V. 65 1253 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2WLT - ASP C4 H7 N O4 C([C@@H](C....
2 2WT4 - 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 : 2WLT; Ligand: ASP; Similar sites found: 203
This union binding pocket(no: 1) in the query (biounit: 2wlt.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3EJ0 11X 0.0001367 0.40655 1.02041
2 2C6Q NDP 0.03113 0.41767 1.50602
3 3D2M COA 0.001803 0.43277 1.80723
4 4NVP 7CH 0.00007131 0.4346 1.91388
5 3Q3C NAD 0.002348 0.40525 2.00669
6 3C2O NTM 0.00001524 0.50146 2.04082
7 2Q1A 2KT 0.000004324 0.44064 2.04778
8 2JE7 XMM 0.0001797 0.40825 2.09205
9 1PJ6 FOL 0.0001051 0.43974 2.10843
10 2R7K ACP 0.001536 0.43372 2.10843
11 2R7K AMZ 0.001536 0.43372 2.10843
12 3UH0 TSB 0.009377 0.42449 2.10843
13 4B7J G39 0.0003822 0.41023 2.10843
14 1T26 GBD 0.0001326 0.47015 2.17391
15 1T26 NAI 0.0001326 0.47015 2.17391
16 3CL7 HYN 0.000009707 0.43453 2.27273
17 2OQ2 A3P 0.02193 0.40574 2.29885
18 2H6B 3C4 0.002292 0.40721 2.4
19 1JQ5 NAD 0.0002743 0.47192 2.40964
20 1PEA ACM 0.00531 0.4517 2.40964
21 2P8B NSK 0.007268 0.41414 2.40964
22 1GSA GSH 0.0001461 0.43302 2.53165
23 1GSA ADP 0.001791 0.40552 2.53165
24 3TA2 AKG 0.0005016 0.40092 2.54237
25 1J2Z SOG 0.0005827 0.41783 2.59259
26 1G8S MET 0.003087 0.44934 2.6087
27 3OIG NAD 0.001059 0.42116 2.63158
28 1DXY NAD 0.000084 0.47583 2.71084
29 1SAY PYR 0.000341 0.46542 2.71084
30 2YYJ FAD 0.0003235 0.4508 2.71084
31 2YYJ 4HP 0.0003235 0.4508 2.71084
32 4OYA 1VE 0.0009888 0.4419 2.71084
33 4A8T PAO 0.001537 0.4174 2.71084
34 1RZM E4P 0.03771 0.40348 2.71084
35 3A1I UNU 0.01331 0.40104 2.71084
36 1LDM NAD 0.0001084 0.45666 2.73556
37 2P2V CSF 0.00007727 0.45043 2.77778
38 4FUA PGH 0.00003563 0.42504 2.7907
39 1JA9 NDP 0.0001508 0.45506 2.91971
40 1MVQ MMA 0.00005319 0.43221 2.9661
41 4FR3 0V4 0.002801 0.41356 2.99145
42 4FR3 LYS ARG ARG LYS SEP VAL 0.002952 0.4128 2.99145
43 1V8K ANP 0.000003713 0.46577 3.01205
44 4QN6 LNV 0.0002535 0.42085 3.01205
45 3CXO 1N5 0.0003692 0.40779 3.01205
46 1GR0 NAD 0.0001855 0.45497 3.31325
47 4IVG ANP 0.0004102 0.42753 3.31325
48 1O9U ADZ 0.03793 0.41466 3.31325
49 4MOB COA 0.00119 0.40185 3.31325
50 2PN6 GLN 0.002392 0.41648 3.33333
51 4JP3 CIT 0.0002203 0.41726 3.34728
52 1LTH NAD 0.00001125 0.47907 3.44828
53 4Q0P 0MK 0.001138 0.43774 3.46154
54 1BDB NAD 0.0006108 0.43627 3.61011
55 3UXL CFI 0.001001 0.43752 3.61446
56 2O07 MTA 0.0203 0.41301 3.61842
57 1RRC ADP 0.0000007198 0.45694 3.65448
58 1FNZ A2G 0.00001893 0.4219 3.79747
59 1X1T NAD 0.0002263 0.45066 3.84615
60 1WVC CTP 0.00003851 0.48361 3.861
61 1K27 MTM 0.0002878 0.41241 3.88693
62 1P4C FMN 0.0009022 0.42788 3.91566
63 2PP3 LGT 0.0003247 0.41128 3.91566
64 1EBF NAD 0.02806 0.40171 3.91566
65 1G6O ADP 0.0001398 0.44614 3.93939
66 2ET1 GLV 0.001266 0.40103 3.9801
67 1ZK4 NAP 0.000548 0.44177 3.98406
68 1ZK4 AC0 0.000548 0.44177 3.98406
69 1EDO NAP 0.0000383 0.47481 4.09836
70 1RSD PSB 0.01887 0.41358 4.13223
71 3RO7 TDR 0.001768 0.43159 4.15094
72 2XD9 XD9 0.008428 0.42003 4.19162
73 1V1A ADP 0.0005222 0.40041 4.20712
74 1G41 ADP 0.00009956 0.45086 4.21687
75 4G1V FAD 0.006361 0.41222 4.21687
76 2QS8 MET 0.0002021 0.4062 4.21687
77 3M0J OAF 0.0001985 0.41561 4.23453
78 3F81 STT 0.002807 0.4738 4.37158
79 1GXU 2HP 0.0007815 0.41528 4.3956
80 3UC5 ATP 0.001245 0.41811 4.4586
81 1OFH ADP 0.00001754 0.478 4.51613
82 3MMR ABH 0.0003689 0.43264 4.51807
83 4U36 TNR 0.00001526 0.43245 4.58333
84 3NOJ PYR 0.00004437 0.42234 4.62185
85 3NJQ NJQ 0.0001842 0.40694 4.66321
86 1LGT BP3 0.003347 0.43101 4.7138
87 1C3M MAN MAN 0.0000001794 0.44087 4.7619
88 1I2B NAD 0.001389 0.44479 4.81928
89 1I2B UPG 0.001389 0.44479 4.81928
90 1I2B USQ 0.001389 0.44479 4.81928
91 1XP8 AGS 0.0001028 0.44117 4.81928
92 1AL8 FMN 0.0001573 0.44068 4.81928
93 3PLN U5P 0.004257 0.43132 4.81928
94 4KCF AKM 0.0004005 0.42786 4.81928
95 4KCF FMN 0.0002334 0.42193 4.81928
96 1AL8 DHP 0.00191 0.41574 4.81928
97 3VGL ANP 0.00007318 0.43705 4.98442
98 3VGL BGC 0.00006121 0.42709 4.98442
99 1Z34 2FD 0.0004856 0.42614 5.10638
100 2IMP NAI 0.0002881 0.45123 5.12048
101 1XMV ADP 0.0006261 0.42264 5.12048
102 1Q3Q ANP 0.0009875 0.42057 5.12048
103 3DJL FAD 0.00257 0.41904 5.12048
104 2IMP LAC 0.00003758 0.40145 5.12048
105 3O03 NAP 0.0007937 0.42363 5.15464
106 2Q6K ADN 0.0005119 0.43951 5.30035
107 1UQX MMA 0.00001916 0.42682 5.30973
108 3GD8 GOL 0.0000596 0.41395 5.38117
109 2BGM NAJ 0.001538 0.41436 5.39568
110 3L8W XAN 0.003183 0.40417 5.40541
111 2RDT 2RD 0.00009491 0.46017 5.42169
112 2RDT FMN 0.00006587 0.45661 5.42169
113 1RM4 NDP 0.000587 0.42948 5.42169
114 2NCD ADP 0.01043 0.41936 5.42169
115 1V5F TPP 0.0162 0.41148 5.42169
116 1V5F FAD 0.0162 0.41148 5.42169
117 4LTN NAI 0.00007292 0.44913 5.58376
118 4LTN FMN 0.0000554 0.44833 5.58376
119 3SHR CMP 0.01227 0.40249 5.68562
120 1EXB NDP 0.00004732 0.47333 5.72289
121 1CR1 TTP 0.0002928 0.44549 5.72289
122 3K37 BCZ 0.0005061 0.44166 5.72289
123 3EAU PDN 0.00101 0.43278 5.8104
124 3EAU NDP 0.00101 0.43278 5.8104
125 2X61 CH 0.0000001755 0.5191 5.81395
126 2X61 NGA GAL SIA 0.000199 0.44301 5.81395
127 4IZC 1GZ 0.002887 0.40031 5.81818
128 2GJ3 FAD 0.00005408 0.47439 5.83333
129 2FH5 GTP 0.0002666 0.42727 5.94595
130 1E8G FAD 0.00005912 0.48233 6.0241
131 1E8G FCR 0.00005449 0.48233 6.0241
132 4F8L GAL 0.005906 0.4751 6.2069
133 4LCQ URQ 0.0003291 0.40616 6.3253
134 2GN3 MMA 0.001742 0.43533 6.34921
135 2GN3 MAN 0.002369 0.42696 6.34921
136 2GMM MAN MAN 0.00616 0.41984 6.34921
137 3FPZ AHZ 0.0003493 0.4484 6.44172
138 1WKL ATP 0.0002127 0.43751 6.56934
139 2ZO9 MLI 0.005596 0.41423 6.56934
140 1WKL ADP 0.0006505 0.41317 6.56934
141 1ZFJ IMP 0.0004871 0.45161 6.62651
142 1UGX GAL MGC 0.00005824 0.42771 6.76692
143 1A5Z NAD 0.0002089 0.4348 6.89655
144 2BLE 5GP 0.0006856 0.42729 6.92771
145 1VCO GLN 0.00003783 0.42703 6.92771
146 2HMT NAI 0.0003558 0.42754 6.94444
147 4DA6 GA2 0.00003422 0.46572 7.11462
148 4KS1 2H8 0.0006967 0.41439 7.22892
149 4JB1 FAD 0.02677 0.42602 7.35294
150 4JB1 NAP 0.02594 0.42602 7.35294
151 3MB5 SAM 0.00009727 0.44728 7.45098
152 4CMF PXG 0.0001498 0.44135 7.45342
153 4AF0 IMP 0.00009229 0.44592 7.53012
154 4AF0 MOA 0.00005361 0.41711 7.53012
155 3O9P MHI 0.002229 0.41422 7.53012
156 1O6B ADP 0.001045 0.40996 7.69231
157 3ZZS TRP 0.0009452 0.40125 7.69231
158 4TSK NDP 0.000002736 0.50304 7.83133
159 1TV5 ORO 0.0001558 0.45969 7.83133
160 1E4I NFG 0.00004266 0.42531 7.83133
161 2E1A MSE 0.01559 0.40234 8
162 3K9W 4PS 0.008647 0.40756 8.02139
163 3K9W ADE 0.008647 0.40756 8.02139
164 3PHQ KDO 0.007051 0.47938 8.10811
165 1F8F NAD 0.00003958 0.4637 8.13253
166 2VAP GDP 0.02999 0.40544 8.13253
167 3ZPG 5GP 0.02521 0.42402 8.37696
168 2BNF UTP 0.0004074 0.41589 8.71369
169 2R0N TGC 0.01883 0.40386 8.73494
170 2C9O ADP 0.003078 0.41156 9.03614
171 2BNE U5P 0.0004648 0.40842 9.12863
172 4N02 FNR 0.0005242 0.42599 9.33735
173 1ME8 RVP 0.00002661 0.48624 9.63855
174 4EKV BTN 0.0004453 0.40828 10.0629
175 1DRV A3D 0.0001647 0.43803 10.6227
176 1I9G SAM 0.00001322 0.47001 10.7143
177 1YBH FAD 0.0009361 0.43742 10.8434
178 1YBH P22 0.00005026 0.43293 10.8434
179 1YBH CIE 0.001024 0.40495 10.8434
180 2BTO GTP 0.0003552 0.41769 11.1111
181 1VQ2 DDN 0.001305 0.41972 11.399
182 2GGH NLQ 0.0003517 0.41658 11.4458
183 2NLI FMN 0.0003501 0.4297 11.747
184 2NLI LAC 0.0003501 0.4297 11.747
185 1RP0 AHZ 0.0008015 0.43097 11.9718
186 1OMZ UD2 0.0003524 0.42353 12.2867
187 1K97 CIR 0.0001324 0.46399 12.3494
188 1K97 ASP 0.0001324 0.46399 12.3494
189 1WL4 COA 0.0006859 0.4146 12.3494
190 3QVL 5HY 0.001198 0.41369 12.6531
191 3FSJ D7K 0.001271 0.42432 12.9518
192 2NSJ C2R 0.00006489 0.46876 13.0178
193 2FWP CIT 0.00002462 0.44192 14.7541
194 2FWP ICR 0.000135 0.42637 14.7541
195 4TMK T5A 0.008754 0.41248 15.0235
196 2XBP ATP 0.001842 0.40376 15.0442
197 2OWZ CIT 0.000002716 0.444 15.3614
198 1ONX ASP 0.000001415 0.48377 15.6627
199 1YBQ BDH 0.000003395 0.47387 15.9639
200 3S9K CIT 0.005539 0.48082 16.9492
201 1NVU GTP 0.0002252 0.4395 18.0723
202 1NVV GNP 0.0005629 0.42676 18.0723
203 4GQB 0XU 0.0008666 0.41904 18.1818
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