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@...
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@@H](C....
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@@H](C....
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 1APZ - ASP C4 H7 N O4 C([C@@H](C....
2 2GL9 - ASN NAG n/a n/a
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 : 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) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1APZ; Ligand: ASP; Similar sites found: 112
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) Sequence Similarity
1 1WF3 GNP 0.02897 0.40642 1.23457
2 2D7C GTP 0.0145 0.42083 2.46914
3 5WDR GNP 0.02975 0.40581 2.83688
4 4PIO SAH 0.04606 0.40171 3.08642
5 2EW1 GNP 0.008466 0.42988 3.48259
6 4LX0 BEF GDP 0.01219 0.42624 3.5461
7 2HV8 GTP 0.01374 0.42206 3.5461
8 1HQL GLA MBG 0.006217 0.41844 3.7037
9 4BAS GNP 0.022 0.40677 3.7037
10 3CIF NAD 0.03758 0.40298 3.7037
11 1NRJ GTP 0.002011 0.45836 4.25532
12 3MAX LLX 0.0219 0.41144 4.25532
13 1ZUI SKM 0.04444 0.40573 4.25532
14 1GJW GLC 0.003761 0.42808 4.32099
15 2W2X GSP 0.01612 0.41207 4.83871
16 4GOJ GNP 0.01192 0.42053 4.93827
17 1TU3 GNP 0.01273 0.4238 4.96454
18 5K6A NAP 0.03389 0.4078 4.96454
19 4CM9 NAP 0.04353 0.40192 4.96454
20 4CME NAP 0.04296 0.40106 4.96454
21 4KVG GTP 0.02889 0.4051 5.35714
22 4XOI GTP 0.01892 0.41331 5.67376
23 1KMQ GNP 0.01775 0.41321 5.67376
24 1CXZ GSP 0.02067 0.40818 5.67376
25 2GCO GNP 0.01944 0.40431 5.67376
26 4XSH GSP 0.02145 0.40396 5.67376
27 1TB3 FMN 0.01725 0.42354 6.17284
28 3X1Z GNP 0.03262 0.405 6.17284
29 1GWN GTP 0.006002 0.43408 6.38298
30 4D0G GTP 0.02145 0.40734 6.38298
31 4RD0 GDP 0.02254 0.40623 6.38298
32 1VBO MAN MAN MAN 0.01383 0.40189 6.71141
33 1VBO MAN 0.01102 0.40181 6.71141
34 2B8W ALF 5GP 0.03302 0.40062 6.79012
35 2GVC FAD 0.02173 0.42161 7.0922
36 2FJU GSP 0.02114 0.40601 7.0922
37 4ZG4 VO4 ADP 0.02502 0.40545 7.0922
38 1CT9 GLN 0.0141 0.40285 7.0922
39 4NCN GTP 0.01799 0.41291 7.40741
40 5J7X FAD 0.04199 0.41094 7.40741
41 2ODE ALF GDP 0.02771 0.41006 7.80142
42 5UWS GNP 0.008251 0.43658 8.39161
43 5UWU GNP 0.008191 0.4353 8.39161
44 5UWT GNP 0.008519 0.43441 8.39161
45 5UWI GNP 0.009009 0.43313 8.39161
46 5DI9 GNP 0.01016 0.43182 8.39161
47 5UWP GNP 0.01044 0.4312 8.39161
48 5DHF GNP 0.009885 0.43102 8.39161
49 5DIF GNP 0.01002 0.4307 8.39161
50 2IHT TPP 0.01608 0.41992 8.51064
51 4HAT GNP 0.01134 0.42929 8.57143
52 3VMF GTP 0.01666 0.41768 8.64198
53 2Z49 AMG 0.00542 0.41382 8.64198
54 2Z48 A2G 0.006604 0.40139 8.64198
55 3E5H GNP 0.01151 0.42607 9.21986
56 1RYH GNP 0.01648 0.40397 9.21986
57 4GJ3 0XP 0.04557 0.40084 9.21986
58 3B96 MYA 0.01592 0.41236 9.87654
59 4GLW NMN 0.002894 0.40928 9.87654
60 3WYF GTP 0.007185 0.43974 9.92908
61 3M1I GTP 0.009456 0.43203 9.92908
62 4U5X GNP 0.01409 0.41329 9.92908
63 2QTV GNP 0.0219 0.40998 9.92908
64 4K81 GTP 0.02504 0.40977 9.92908
65 2UZI GTP 0.02985 0.40435 9.92908
66 1NVU GTP 0.03233 0.40389 9.92908
67 1LFD GNP 0.03335 0.40182 9.92908
68 1NVV GNP 0.03674 0.40094 9.92908
69 1M2O GNP 0.03562 0.4003 9.92908
70 5L2Z 70C 0.04575 0.40504 10.3448
71 4YC7 GNP 0.01535 0.41486 10.6383
72 3WXM GTP 0.02538 0.40807 10.6383
73 5G5G MCN 0.01316 0.43663 11.1111
74 1KSH GDP 0.01217 0.41834 11.3475
75 1X7D NAD 0.04057 0.40241 11.3475
76 5UFQ GNP 0.02722 0.40647 11.4754
77 4ZKD GDP 0.005213 0.44558 11.7284
78 1UPT GTP 0.00794 0.42963 11.7284
79 5EE5 GTP 0.008915 0.42704 11.7284
80 5SZH GNP 0.01343 0.42402 11.7284
81 3QVP FAD 0.02152 0.43145 12.0567
82 3ZFD ANP 0.001672 0.45368 12.3457
83 4KAX GTP 0.009255 0.4262 12.963
84 1I0S FMN 0.02636 0.40426 12.963
85 1I0S NAP 0.03558 0.40426 12.963
86 2BME GNP 0.01014 0.42897 13.4409
87 2XVF FAD 0.0313 0.41705 13.4752
88 4JB0 ENO 0.01712 0.40518 13.4752
89 4JB0 FER 0.01621 0.40433 13.4752
90 1UAD GNP 0.02725 0.40644 14.1414
91 5I0H ADP BEF 0.004348 0.44124 14.1844
92 1OIX GDP 0.02463 0.40876 14.8148
93 3GJX GTP 0.007677 0.43678 14.8936
94 2E5V FAD 0.04051 0.41769 14.8936
95 4ZI2 GNP 0.01011 0.42423 16.5414
96 2C77 GNP 0.01864 0.40883 16.6667
97 2A5F GTP 0.007712 0.4336 17.0213
98 3BC1 GNP 0.008799 0.43218 17.0213
99 1YZQ GNP 0.01665 0.41912 17.0213
100 4HDQ GNP 0.03174 0.40432 17.7305
101 1TAD ALF 0.03899 0.40212 18.4397
102 1TAD GDP 0.03899 0.40212 18.4397
103 4XVU ATP 0.03035 0.40106 18.4397
104 3IHG FAD 0.04927 0.40012 20.3704
105 5EFQ ADP 0.02344 0.40017 21.9858
106 3ZQ6 ADP ALF 0.03232 0.4039 22.2222
107 2FFQ GSP 0.01544 0.42085 26.2411
108 3NZW BOC TY5 ALA RE0 ABN 0.005645 0.44064 35.8025
109 5UWR GNP 0.008984 0.4332 37.037
110 4O48 ASP 0.0000000001337 0.80017 41.844
111 4PVR ASP 0.0000000001018 0.8225 42.5532
112 4PU6 ASP 0.00000000007752 0.79785 46.8085
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