Receptor
PDB id Resolution Class Description Source Keywords
1P4V 1.9 Å EC: 3.5.1.26 CRYSTAL STRUCTURE OF THE GLYCOSYLASPARAGINASE PRECURSOR D151N MUTANT WITH GLYCINE ELIZABETHKINGIA MENINGOSEPTICA ALPHA BETA BETA ALPHA SANDWICH HYDROLASE
Ref.: A DUAL ROLE FOR AN ASPARTIC ACID IN GLYCOSYLASPARAGINASE AUTOPROTEOLYSIS. STRUCTURE V. 11 997 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY C:596;
Valid;
none;
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75.067 C2 H5 N O2 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P4V 1.9 Å EC: 3.5.1.26 CRYSTAL STRUCTURE OF THE GLYCOSYLASPARAGINASE PRECURSOR D151N MUTANT WITH GLYCINE ELIZABETHKINGIA MENINGOSEPTICA ALPHA BETA BETA ALPHA SANDWICH HYDROLASE
Ref.: A DUAL ROLE FOR AN ASPARTIC ACID IN GLYCOSYLASPARAGINASE AUTOPROTEOLYSIS. STRUCTURE V. 11 997 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1P4V - GLY C2 H5 N O2 C(C(=O)O)N
2 9GAF - GLY C2 H5 N O2 C(C(=O)O)N
3 4R4Y - SD4 C4 H8 N2 O4 C([C@@H](C....
4 9GAC - GLY C2 H5 N O2 C(C(=O)O)N
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1P4V - GLY C2 H5 N O2 C(C(=O)O)N
2 9GAF - GLY C2 H5 N O2 C(C(=O)O)N
3 4R4Y - SD4 C4 H8 N2 O4 C([C@@H](C....
4 9GAC - GLY C2 H5 N O2 C(C(=O)O)N
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1P4V - GLY C2 H5 N O2 C(C(=O)O)N
2 9GAF - GLY C2 H5 N O2 C(C(=O)O)N
3 4R4Y - SD4 C4 H8 N2 O4 C([C@@H](C....
4 9GAC - GLY C2 H5 N O2 C(C(=O)O)N
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY 1 1
2 BAL 0.5625 0.708333
3 ABU 0.473684 0.708333
4 MCR 0.466667 0.65
5 2RA 0.421053 0.692308
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P4V; Ligand: GLY; Similar sites found: 126
This union binding pocket(no: 1) in the query (biounit: 1p4v.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5WDR GNP 0.02324 0.41228 None
2 2B8W ALF 5GP 0.0108 0.42796 1.69492
3 1TDF FAD 0.04758 0.41529 1.69492
4 1VG8 GNP 0.01694 0.42002 1.93237
5 2VVM FAD 0.01827 0.43422 2.0339
6 1SB8 NAD 0.04953 0.41563 2.0339
7 1TAD ALF 0.03709 0.40394 2.0339
8 1TAD GDP 0.03709 0.40394 2.0339
9 2NLI FMN 0.02515 0.40844 2.37288
10 2NLI LAC 0.03655 0.40448 2.37288
11 4JBI NDP 0.03247 0.40439 2.37288
12 1PA9 CSN 0.01892 0.40318 2.46479
13 3AI3 SOE 0.006374 0.4164 2.6616
14 4AF0 IMP 0.04781 0.43925 2.71186
15 2GVC FAD 0.04417 0.40589 2.71186
16 4CJX NAP 0.03055 0.40544 2.71186
17 1CXZ GSP 0.01964 0.41036 2.74725
18 4ZG4 VO4 ADP 0.01431 0.41803 3.05085
19 3RSC TYD 0.01575 0.41703 3.05085
20 3IAA TYD 0.01698 0.41371 3.05085
21 1M2O GNP 0.02639 0.40786 3.15789
22 1Z06 GNP 0.009993 0.42899 3.1746
23 5HWK BEZ 0.008096 0.40028 3.33333
24 1VBO MAN 0.006925 0.41581 3.3557
25 4U5X GNP 0.0168 0.4106 3.37079
26 3CX8 GSP 0.0267 0.41187 3.38983
27 3B96 MYA 0.02142 0.40478 3.38983
28 3NKV GNP 0.01387 0.42294 3.42857
29 3WXM GTP 0.007437 0.43777 3.57942
30 4NCN GTP 0.009314 0.42917 3.72881
31 1PNO NAP 0.02524 0.41546 3.88889
32 1GWN GTP 0.009991 0.42413 3.90244
33 4BAS GNP 0.01509 0.41602 4.0201
34 2OOR TXP 0.03458 0.40541 4.02299
35 2C77 GNP 0.008086 0.42892 4.0678
36 2RAB FAD 0.03568 0.42136 4.0678
37 1DJN ADP 0.02324 0.41043 4.0678
38 5HMY LNY 0.04833 0.40814 4.0678
39 1WPQ NAD 0.03014 0.40442 4.0678
40 2FLI DX5 0.02031 0.40751 4.09091
41 1RL4 BRR 0.008179 0.40107 4.25532
42 3SBD GNP 0.02665 0.40786 4.27807
43 1KSH GDP 0.01573 0.41355 4.30108
44 2PHN GDP 0.02391 0.40932 4.33071
45 4YRY NAD 0.04998 0.41924 4.34783
46 1KMQ GNP 0.01678 0.41564 4.34783
47 1WF3 GNP 0.01688 0.41964 4.40678
48 2C42 TPP 0.02309 0.41887 4.40678
49 2C42 PYR 0.02309 0.41887 4.40678
50 4XOI GTP 0.02664 0.40643 4.44444
51 2FJU GSP 0.01479 0.41547 4.49438
52 2FH5 GTP 0.004286 0.44279 4.6729
53 3TNF GNP 0.007516 0.44037 4.74576
54 5I39 FAD 0.03581 0.41609 4.74576
55 1BH2 GSP 0.03123 0.40795 4.74576
56 3X1Z GNP 0.03182 0.40458 4.79042
57 2V2V V12 0.04364 0.41305 4.79705
58 1O3Y GTP 0.008976 0.42981 4.81928
59 1UPT GTP 0.01196 0.42345 5
60 3PC3 P1T 0.01922 0.41212 5.08475
61 1KBJ FMN 0.02479 0.41082 5.08475
62 1ZC3 GNP 0.03716 0.40122 5.14286
63 1DJL NAP 0.03738 0.4099 5.31401
64 5I0H ADP BEF 0.009455 0.42502 5.42373
65 16PK BIS 0.03714 0.41827 5.42373
66 2XVF FAD 0.04152 0.41142 5.42373
67 3AXK NDP 0.01062 0.41906 5.42636
68 4YC7 GNP 0.01915 0.41095 5.52486
69 5EE5 GTP 0.0158 0.41697 5.6338
70 2ODE ALF GDP 0.03146 0.4078 5.67376
71 1YAG ATP 0.01193 0.42428 5.76271
72 3GJX GTP 0.01218 0.42737 6.1017
73 1TB3 FMN 0.03248 0.40942 6.1017
74 3ZFD ANP 0.005744 0.42765 6.44068
75 1OFD AKG 0.04678 0.40504 6.44068
76 1D4O NAP 0.03525 0.40459 6.52174
77 1F2U ATP 0.03132 0.40607 6.75676
78 3ZKI WZV 0.01506 0.41204 6.77966
79 2Z48 A2G 0.005004 0.41145 6.77966
80 2Z48 NGA 0.005703 0.4058 6.77966
81 1E96 GTP 0.02659 0.40775 6.89655
82 2FFQ GSP 0.01359 0.42528 7.01754
83 4RD0 GDP 0.02667 0.40262 7.11864
84 2BGM NAJ 0.03887 0.40245 7.19424
85 5UWS GNP 0.01315 0.42693 7.45763
86 5DI9 GNP 0.01451 0.42466 7.45763
87 5UWP GNP 0.0153 0.42335 7.45763
88 4KQI RBZ 0.0332 0.41059 7.45763
89 3K56 IS3 0.02031 0.40138 7.5188
90 3RAB GNP 0.01216 0.42618 7.69231
91 1I0S FMN 0.02134 0.40976 7.69231
92 1I0S NAP 0.02872 0.40976 7.69231
93 1UAD GNP 0.01986 0.4143 8
94 3VMF GTP 0.00944 0.43212 8.13559
95 1YZQ GNP 0.01894 0.41712 8.23529
96 3WYF GTP 0.01892 0.41804 8.40336
97 5EZ7 FAD 0.01397 0.4387 8.47458
98 2IHT TPP 0.03253 0.40581 8.47458
99 5SZH GNP 0.02004 0.41562 8.49673
100 2XTZ GSP 0.02764 0.4084 8.81356
101 3WYG GTP 0.01271 0.42772 9.89011
102 2GAG NAD 0.02851 0.42119 10.101
103 3BC1 GNP 0.01184 0.42654 10.2564
104 2C5L GTP 0.02474 0.41065 10.4046
105 4MO2 FDA 0.025 0.4248 10.5085
106 4K81 GTP 0.01946 0.41638 10.5263
107 3CTY FAD 0.03015 0.42595 11.5254
108 1NRJ GTP 0.004483 0.4418 12.3853
109 5UQW GDP 0.02952 0.40483 12.6984
110 2BME GNP 0.009968 0.42905 12.9032
111 4LX0 BEF GDP 0.01362 0.4249 13.5593
112 4ZI2 GNP 0.005803 0.43849 14.2105
113 5UFQ GNP 0.02901 0.40149 14.4578
114 4G4S LDZ 0.02291 0.40203 15.0862
115 3HRD MCN 0.03699 0.41037 15.625
116 2W2X GSP 0.01399 0.41652 16.9355
117 2A5F GTP 0.01456 0.41967 17.1429
118 1Z0K GTP 0.009931 0.42742 17.3913
119 5G5G MCN 0.003257 0.47169 17.6271
120 1TU3 GNP 0.03299 0.40202 18.1287
121 2QTV GNP 0.01661 0.41759 18.3673
122 5EXE 5SR 0.008528 0.44292 18.7302
123 1LFD GNP 0.03066 0.40427 19.1617
124 2UZI GTP 0.02023 0.41421 19.2771
125 3NZW BOC TY5 ALA RE0 ABN 0.0324 0.40261 25.2874
126 4O48 ASP 0.0000000002344 0.78117 47.4576
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