Receptor
PDB id Resolution Class Description Source Keywords
1APZ 2.3 Å EC: 3.5.1.26 HUMAN ASPARTYLGLUCOSAMINIDASE COMPLEX WITH REACTION PRODUCT HOMO SAPIENS ASPARTYLGLUCOSAMINIDASE GLYCOSYLASPARAGINASE COMPLEX (HYDRPEPTIDE) COMPLEX (HYDROLASE-PEPTIDE) COMPLEX
Ref.: THREE-DIMENSIONAL STRUCTURE OF HUMAN LYSOSOMAL ASPARTYLGLUCOSAMINIDASE. NAT.STRUCT.BIOL. V. 2 1102 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP B:551;
D:552;
Valid;
Valid;
none;
none;
submit data
133.103 C4 H7 N O4 C(C(C...
NAG A:501;
B:511;
C:521;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG BMA D:531;
Part of Protein;
none;
submit data
570.545 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1APZ 2.3 Å EC: 3.5.1.26 HUMAN ASPARTYLGLUCOSAMINIDASE COMPLEX WITH REACTION PRODUCT HOMO SAPIENS ASPARTYLGLUCOSAMINIDASE GLYCOSYLASPARAGINASE COMPLEX (HYDRPEPTIDE) COMPLEX (HYDROLASE-PEPTIDE) COMPLEX
Ref.: THREE-DIMENSIONAL STRUCTURE OF HUMAN LYSOSOMAL ASPARTYLGLUCOSAMINIDASE. NAT.STRUCT.BIOL. V. 2 1102 1995
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1APZ - ASP C4 H7 N O4 C(C(C(=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 3 families.
1 1APZ - ASP C4 H7 N O4 C(C(C(=O)O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2GL9 - ASN NAG n/a n/a
2 1APZ - ASP C4 H7 N O4 C(C(C(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP 1 1
2 DAS 1 1
3 ASN 0.636364 0.793103
4 2RA 0.545455 0.689655
5 SER 0.545455 0.714286
6 DSN 0.545455 0.714286
7 DBB 0.545455 0.692308
8 ABA 0.545455 0.692308
9 DCY 0.521739 0.703704
10 C2N 0.521739 0.666667
11 CYS 0.521739 0.703704
12 SD4 0.5 0.648649
13 GLU 0.481481 0.846154
14 GGL 0.481481 0.846154
15 DGL 0.481481 0.846154
16 HSE 0.48 0.758621
17 DAB 0.48 0.612903
18 AS2 0.461538 0.916667
19 CSO 0.461538 0.6875
20 API 0.461538 0.75
21 HCS 0.461538 0.655172
22 NVA 0.461538 0.62069
23 LEU 0.461538 0.642857
24 CSD 0.444444 0.615385
25 CSS 0.444444 0.633333
26 11C 0.433333 0.814815
27 DGN 0.428571 0.7
28 GLN 0.428571 0.7
29 NPI 0.40625 0.785714
30 ONL 0.4 0.7
31 NCD 0.4 0.705882
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1APZ; 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: 1apz.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 2; Query (leader) PDB : 1APZ; Ligand: ASP; Similar sites found: 116
This union binding pocket(no: 2) in the query (biounit: 1apz.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 4PVR ASP 1.018e-10 0.8225
2 4O48 ASP 1.337e-10 0.80017
3 4PU6 ASP 7.752e-11 0.79785
4 1NRJ GTP 0.002011 0.45836
5 3ZFD ANP 0.001672 0.45368
6 3NZW BOC TY5 ALA RE0 ABN 0.004572 0.44539
7 3NZW BOC TY5 ALA RE0 ABN 0.005645 0.44064
8 3WYF GTP 0.007185 0.43974
9 3WYF GTP 0.00781 0.43783
10 3GJX GTP 0.007677 0.43678
11 3GJX GTP 0.008045 0.43571
12 2GVC FAD 0.01252 0.43454
13 1GWN GTP 0.006002 0.43408
14 2A5F GTP 0.007712 0.4336
15 1GWN GTP 0.006185 0.43342
16 3BC1 GNP 0.008799 0.43218
17 3M1I GTP 0.009456 0.43203
18 3QVP FAD 0.02152 0.43145
19 3BC1 GNP 0.009573 0.43027
20 1TU3 GNP 0.01039 0.42988
21 2EW1 GNP 0.008466 0.42988
22 1UPT GTP 0.00794 0.42963
23 4HAT GNP 0.01134 0.42929
24 2BME GNP 0.01014 0.42897
25 1GJW GLC 0.003761 0.42808
26 1UPT GTP 0.008034 0.4276
27 4KAX GTP 0.009255 0.4262
28 3E5H GNP 0.01151 0.42607
29 3E5H GNP 0.01151 0.42607
30 1TU3 GNP 0.01273 0.4238
31 1TB3 FMN 0.01725 0.42354
32 1TB3 FMN 0.01725 0.42354
33 1TU3 GNP 0.01465 0.42343
34 2HV8 GTP 0.01374 0.42206
35 2GVC FAD 0.02173 0.42161
36 2FFQ GSP 0.01544 0.42085
37 2D7C GTP 0.0145 0.42083
38 4GOJ GNP 0.01192 0.42053
39 1HQL GLA MBG 0.005713 0.42043
40 2IHT TPP 0.01608 0.41992
41 1TB3 FMN 0.01525 0.41969
42 2D7C GTP 0.01624 0.41969
43 2BME GNP 0.01454 0.41927
44 4NCN GTP 0.01358 0.41925
45 1YZQ GNP 0.01665 0.41912
46 4GOJ GNP 0.01198 0.4187
47 1HQL GLA MBG 0.006217 0.41844
48 1KSH GDP 0.01217 0.41834
49 2E5V FAD 0.04051 0.41769
50 3VMF GTP 0.01666 0.41768
51 3WXM GTP 0.01601 0.41709
52 2XVF FAD 0.0313 0.41705
53 3MAX LLX 0.01841 0.41682
54 1M2O GNP 0.01645 0.41647
55 2Z49 AMG 0.00542 0.41382
56 4U5X GNP 0.01409 0.41329
57 1KMQ GNP 0.01775 0.41321
58 4NCN GTP 0.01799 0.41291
59 3B96 MYA 0.01592 0.41236
60 2W2X GSP 0.01733 0.41214
61 2W2X GSP 0.01612 0.41207
62 3MAX LLX 0.0219 0.41144
63 2QTV GNP 0.0219 0.40998
64 4K81 GTP 0.02504 0.40977
65 4GLW NMN 0.002894 0.40928
66 2C77 GNP 0.01864 0.40883
67 4BHN BH9 0.02318 0.40869
68 1CXZ GSP 0.02067 0.40818
69 3WXM GTP 0.02538 0.40807
70 1T9D P22 0.008836 0.40762
71 4BAS GNP 0.022 0.40677
72 4BAS GNP 0.022 0.40677
73 4K81 GTP 0.0286 0.40671
74 1UAD GNP 0.02725 0.40644
75 1WF3 GNP 0.02897 0.40642
76 2FJU GSP 0.02114 0.40601
77 2GCO GNP 0.01969 0.40586
78 1ZUI SKM 0.04444 0.40573
79 4K81 GTP 0.0319 0.40552
80 4JB0 ENO 0.01712 0.40518
81 4KVG GTP 0.02889 0.4051
82 4KVG GTP 0.02924 0.40483
83 2UZI GTP 0.02985 0.40435
84 4JB0 FER 0.01621 0.40433
85 4HDQ GNP 0.03174 0.40432
86 2GCO GNP 0.01944 0.40431
87 1I0S FMN 0.02636 0.40426
88 1I0S NAP 0.03558 0.40426
89 1RYH GNP 0.01648 0.40397
90 3ZQ6 ADP ALF 0.03232 0.4039
91 1NVU GTP 0.03233 0.40389
92 1NVU GTP 0.03233 0.40389
93 2Z48 A2G 0.00602 0.40376
94 1UAD GNP 0.02947 0.40322
95 1OIX GDP 0.03357 0.40303
96 3CIF NAD 0.03758 0.40298
97 1CT9 GLN 0.0141 0.40285
98 1X7D NAD 0.04057 0.40241
99 1TAD ALF 0.03899 0.40212
100 1TAD GDP 0.03899 0.40212
101 1VBO MAN MAN MAN 0.01383 0.40189
102 1LFD GNP 0.03335 0.40182
103 1VBO MAN 0.01102 0.40181
104 4PIO SAH 0.04606 0.40171
105 2Z48 A2G 0.006604 0.40139
106 3H4V NAP 0.04504 0.40112
107 1NVV GNP 0.03674 0.40094
108 1NVV GNP 0.03674 0.40094
109 1NVV GNP 0.03674 0.40094
110 1NVV GNP 0.03674 0.40094
111 4GJ3 0XP 0.04557 0.40084
112 1VBO MAN MAN MAN 0.0145 0.4007
113 2B8W ALF 5GP 0.03302 0.40062
114 1M2O GNP 0.03562 0.4003
115 1M2O GNP 0.03562 0.4003
116 3IHG FAD 0.04927 0.40012
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