Receptor
PDB id Resolution Class Description Source Keywords
4O48 2.29 Å EC: 3.5.1.1 CRYSTAL STRUCTURE OF CLEAVED GUINEA PIG L-ASPARAGINASE TYPE COMPLEX WITH L-ASPARTATE CAVIA PORCELLUS HYDROLASE
Ref.: STRUCTURAL AND KINETIC CHARACTERIZATION OF GUINEA P L-ASPARAGINASE TYPE III. BIOCHEMISTRY V. 53 2318 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA B:401;
A:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
ASP A:402;
B:402;
Valid;
Valid;
none;
none;
submit data
133.103 C4 H7 N O4 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4O48 2.29 Å EC: 3.5.1.1 CRYSTAL STRUCTURE OF CLEAVED GUINEA PIG L-ASPARAGINASE TYPE COMPLEX WITH L-ASPARTATE CAVIA PORCELLUS HYDROLASE
Ref.: STRUCTURAL AND KINETIC CHARACTERIZATION OF GUINEA P L-ASPARAGINASE TYPE III. BIOCHEMISTRY V. 53 2318 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4O48 - ASP C4 H7 N O4 C([C@@H](C....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4OSY - GLY C2 H5 N O2 C(C(=O)O)N
2 4PVS - ASP C4 H7 N O4 C([C@@H](C....
3 4OSX - GLY C2 H5 N O2 C(C(=O)O)N
4 4PVR - ASP C4 H7 N O4 C([C@@H](C....
5 4O0F - GLY C2 H5 N O2 C(C(=O)O)N
6 4O0D - GLY C2 H5 N O2 C(C(=O)O)N
7 4PVP - MLI C3 H2 O4 C(C(=O)[O-....
8 4O48 - ASP C4 H7 N O4 C([C@@H](C....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4OSY - GLY C2 H5 N O2 C(C(=O)O)N
2 4PVS - ASP C4 H7 N O4 C([C@@H](C....
3 4OSX - GLY C2 H5 N O2 C(C(=O)O)N
4 4PVR - ASP C4 H7 N O4 C([C@@H](C....
5 4O0F - GLY C2 H5 N O2 C(C(=O)O)N
6 4O0D - GLY C2 H5 N O2 C(C(=O)O)N
7 4PVP - MLI C3 H2 O4 C(C(=O)[O-....
8 4O48 - 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 : 4O48; Ligand: ASP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4o48.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4O48; Ligand: ASP; Similar sites found: 121
This union binding pocket(no: 2) in the query (biounit: 4o48.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FFQ GSP 0.02333 0.41341 None
2 3RAB GNP 0.0176 0.41875 1.18343
3 2B4G FMN 0.01757 0.42008 1.57729
4 3E5H GNP 0.01562 0.42194 1.68539
5 1WF3 GNP 0.03586 0.40293 1.99336
6 1EBG PAH 0.02025 0.40758 2.06422
7 4AUT FAD 0.01898 0.43042 2.40964
8 1GWN GTP 0.0269 0.40222 2.43902
9 1YZN GNP 0.02734 0.40958 2.7027
10 3AXB PRO 0.04258 0.41433 2.71084
11 4YNU FAD 0.0468 0.41321 2.71084
12 1UPA TPP 0.02879 0.40846 2.71084
13 4FN4 NAD 0.04122 0.40411 2.71084
14 4LHW GNP 0.02885 0.40669 2.87356
15 4RD0 GDP 0.02998 0.40103 3.01205
16 1BH2 GSP 0.03358 0.40741 3.1746
17 2BVN GNP 0.01473 0.41146 3.31325
18 2C42 PYR 0.04199 0.40434 3.31325
19 1VG8 GNP 0.02924 0.40795 3.38164
20 1Z0J GTP 0.01233 0.42816 3.38983
21 2E5V FAD 0.03272 0.42256 3.38983
22 5JCA FAD 0.02162 0.43117 3.52113
23 4HDO GNP 0.04005 0.40021 3.59281
24 2C77 GNP 0.01388 0.41755 3.61446
25 2C78 GNP 0.01495 0.41752 3.61446
26 5I0H ADP BEF 0.01692 0.41165 3.61446
27 2NLI FMN 0.04185 0.40092 3.61446
28 2NLI LAC 0.04409 0.40092 3.61446
29 3WYF GTP 0.02089 0.41693 3.65297
30 2BME GNP 0.01285 0.42567 3.76344
31 1LLU NAD 0.03687 0.41117 3.80117
32 2Q0L FAD 0.03839 0.41636 3.85852
33 3LZW NAP 0.01364 0.45365 3.91566
34 3LZW FAD 0.007494 0.45365 3.91566
35 4ZKD GDP 0.01337 0.42637 3.91566
36 1V8B NAD 0.04704 0.406 3.91566
37 1NVU GTP 0.03878 0.40094 3.91566
38 2X6T NAP 0.02056 0.4202 3.92157
39 2O4N TPV 0.02684 0.40944 4.0404
40 1AKV FMN 0.0189 0.41634 4.08163
41 3WOL VAL TYR 0.003161 0.46003 4.21687
42 2W2X GSP 0.02639 0.40294 4.32432
43 4KAX GTP 0.01402 0.41918 4.34783
44 4I4B NAD 0.0387 0.42752 4.51807
45 3AHC TPP 0.04594 0.40033 4.51807
46 1GUA GNP 0.03712 0.40206 4.79042
47 4HEQ FMN 0.02783 0.40076 4.79452
48 2DX7 CIT 0.01013 0.41639 4.82456
49 1NRJ GTP 0.004185 0.44446 5.04587
50 1N62 FAD 0.0176 0.43149 5.12048
51 4GOJ GNP 0.01103 0.42503 5.12048
52 2W9S NDP 0.04444 0.40028 5.12048
53 3BC1 GNP 0.01345 0.42496 5.12821
54 5TDF 7A3 0.0229 0.40231 5.24691
55 3F6R FMN 0.0137 0.41536 5.40541
56 3VMF GTP 0.01803 0.41783 5.42169
57 1PVN MZP 0.03935 0.41334 5.42169
58 3H4V DVP 0.04676 0.41335 5.55556
59 3ZEU ADP 0.0254 0.40116 5.62771
60 3NKV GNP 0.01643 0.42025 5.71429
61 4ZG4 VO4 ADP 0.01308 0.42147 5.72289
62 4IXH IMP 0.0141 0.42127 5.72289
63 4M9Q GNP 0.0106 0.42587 5.72687
64 3ZFD ANP 0.006428 0.42607 6.0241
65 3OIX FMN 0.01295 0.4232 6.0241
66 4LX0 BEF GDP 0.0187 0.41846 6.3253
67 2XTZ GSP 0.03293 0.4038 6.3253
68 5UWI GNP 0.01802 0.41941 6.32911
69 1FQ5 0GM 0.03064 0.40884 6.38298
70 1UPT GTP 0.01159 0.42359 6.43275
71 1KSH GDP 0.01792 0.41201 6.45161
72 1YVD GNP 0.01345 0.42464 6.50888
73 3ZLQ 6T9 0.01475 0.41544 6.55738
74 1O3Y GTP 0.01149 0.42714 6.62651
75 3GD4 FAD 0.04757 0.40722 6.65362
76 1R4A GNP 0.01383 0.42285 6.66667
77 4U5X GNP 0.009717 0.42448 6.74157
78 3FJG 3PG 0.0137 0.40053 6.77291
79 3NYC FAD 0.03515 0.42509 6.92771
80 1IBR GNP 0.01891 0.4182 6.94444
81 3S43 478 0.03451 0.40692 7.07071
82 2GCO GNP 0.02676 0.40096 7.46269
83 1TB3 FMN 0.03519 0.40779 7.53012
84 1Z08 GNP 0.03556 0.40304 7.64706
85 2EW1 GNP 0.01237 0.42341 7.83133
86 1SIV PSI 0.02314 0.42054 8.08081
87 2Q4W FAD 0.0137 0.43387 8.13253
88 1EK0 GNP 0.01439 0.42323 8.23529
89 2J59 GTP 0.01323 0.42076 8.33333
90 1WA5 GTP 0.02434 0.41719 8.52273
91 1KMQ GNP 0.02711 0.40523 8.69565
92 5HRA DAS 0.008669 0.41733 8.93617
93 4G4S LDZ 0.00279 0.4502 9.00901
94 3WYG GTP 0.0167 0.42241 9.21053
95 5DP2 NAP 0.04196 0.40129 9.93976
96 1FFU CDP 0.04805 0.40845 10.1045
97 1FFU FAD 0.04185 0.40766 10.1045
98 1TU3 GNP 0.01729 0.41867 10.1266
99 2Q7V FAD 0.04374 0.41288 10.5422
100 1IMB LIP 0.01953 0.40163 10.5422
101 2FJU GSP 0.02776 0.40176 10.6742
102 3WXM GTP 0.01859 0.41561 11.1446
103 3OVR 5SP 0.02463 0.40637 11.4035
104 1M2O GNP 0.02152 0.41249 11.5789
105 1Z0K GTP 0.01034 0.42766 11.6279
106 3TNF GNP 0.01583 0.42348 11.747
107 3GJX GTP 0.01517 0.42347 11.747
108 3DOE GTP 0.01742 0.4156 12.1212
109 1EDO NAP 0.01513 0.42926 12.3494
110 5SZH GNP 0.0226 0.41377 13.0719
111 2Y8E GNP 0.02672 0.40889 13.4078
112 4NJS G08 0.04095 0.40523 14.1414
113 3TKL GTP 0.01789 0.41637 14.6067
114 1YZQ GNP 0.01948 0.41769 14.7059
115 5UWR GNP 0.01718 0.42055 14.8148
116 3AI7 TPP 0.03674 0.40075 15.3614
117 5EE5 GTP 0.01433 0.41861 19.2488
118 2HV8 GTP 0.03703 0.40035 20.3125
119 3MJH GTP 0.02544 0.40942 20.5882
120 1APZ ASP 0.0000000001337 0.80017 41.844
121 1P4V GLY 0.0000000002344 0.78117 47.4576
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